成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 777-44-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 777-44-6
Chemical Structure| 777-44-6
Structure of 777-44-6 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 777-44-6 ]

Related Doc. of [ 777-44-6 ]

Alternatived Products of [ 777-44-6 ]
Product Citations

Product Details of [ 777-44-6 ]

CAS No. :777-44-6 MDL No. :MFCD00014724
Formula : C7H4ClF3O2S Boiling Point : No data available
Linear Structure Formula :- InChI Key :ONCAZCNPWWQQMW-UHFFFAOYSA-N
M.W : 244.62 Pubchem ID :2733250
Synonyms :

Calculated chemistry of [ 777-44-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 2
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.53
TPSA : 42.52 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.78 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.8
Log Po/w (XLOGP3) : 2.83
Log Po/w (WLOGP) : 4.87
Log Po/w (MLOGP) : 2.59
Log Po/w (SILICOS-IT) : 2.39
Consensus Log Po/w : 2.89

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.32
Solubility : 0.116 mg/ml ; 0.000474 mol/l
Class : Soluble
Log S (Ali) : -3.38
Solubility : 0.102 mg/ml ; 0.000416 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.83
Solubility : 0.0361 mg/ml ; 0.000148 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.9

Safety of [ 777-44-6 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310 UN#:3265
Hazard Statements:H314 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 777-44-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 777-44-6 ]

[ 777-44-6 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 534595-51-2 ]
  • [ 777-44-6 ]
  • [ 943223-57-2 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In dichloromethane; at 20 - 37℃; for 48.0h; EXAMPLE 1; N-Isopropyl-N-piperidin-4-yl-3 -trifluoromethylbenzenesulfonamide (6); [0480] NaB(OAc)3H (14 g, 66 mmol, Aldrich) was added to a mixture of compound 1 (10 g, 50 mmol, Aldrich), compound 2 (3 g, 52.5 mmol, Aldrich), molecular sieves (4A beads, 2Og, Aldrich) in DCE (200 mL) at 0 0C. The resulting mixture was stirred at room temperature for 24 hours. The reaction mixture was quenched with MeOH (2mL), filtered over celite, washed with water, 2N NaOH and concentrated under vacuum to afford crude compound 3 as a colorless oil. Compound 4 (12 g, 49 mmol, Aldrich) was added to a mixture of the above crude compound 3, TEA (10 mL) and DCM (10 mL) at room temperature. The resulting mixture was heated and stirred at 37 0C for 2 days. The reaction mixture was then cooled to room temperature, washed with water (10 mL), brine, concentrated and purified by column (silica gel, EtOAc/hexanes 3/7) to obtain compound 5 as a sticky oil (10 g, yield 45% in two steps), which was dissolved in 100 mL of 1,4-dioxane. HCl (10 mL, concentrated aq.) was added to the 1,4-dioxane solution at room temperature. The resulting mixture was stirred at room temperature for 48 hours, and concentrated under vacuum. The residue was washed with ethyl ether, and dried to obtain the title compound 6 as HCl-salt, which was suspended in EtOAc, and neutralized with IN <n="152"/>NaOH aq, concentrated and dried under vacuum to give compound 6 as colorless oil (5 g, yield 65%).
With triethylamine; In dichloromethane; at 37℃; for 48.0h; Example 1; N-Isopropyl-N-piperidin-4-yl-3-trifluoromethyl-benzenesulfonamide (6); NaB(OAc)3H (14 g, 66 mmol, Aldrich) was added to a mixture of compound 1 (10 g, 50 mmol, Aldrich), compound 2 (3 g, 52.5 mmol, Aldrich), molecular sieves (4 beads, 20 g, Aldrich) in DCE (200 mL) at 0 C. The resulting mixture was stirred at room temperature for 24 hours. The reaction mixture was quenched with MeOH (2 mL), filtered over celite, washed with water, 2N NaOH and concentrated under vacuum to afford crude compound 3 as a colorless oil. Compound 4 (12 g, 49 mmol, Aldrich) was added to a mixture of the above crude compound 3, TEA (10 mL) and DCM (10 mL) at room temperature. The resulting mixture was heated and stirred at 37 C. for 2 days. The reaction mixture was then cooled to room temperature, washed with water (10 mL), brine, concentrated and purified by column (silica gel, EtOAc/hexanes 3/7) to obtain compound 5 as a sticky oil (10 g, yield 45% in two steps), which was dissolved in 100 mL of 1,4-dioxane. HCl (10 mL, concentrated aq.) was added to the 1,4-dioxane solution at room temperature. The resulting mixture was stirred at room temperature for 48 hours, and concentrated under vacuum. The residue was washed with ethyl ether, and dried to obtain the title compound 6 as HCl-salt, which was suspended in EtOAc, and neutralized with 1N NaOH aq, concentrated and dried under vacuum to give compound 6 as colorless oil (5 g, yield 65%).
With triethylamine; In dichloromethane; at 20 - 37℃; for 48.0h; EXAMPLE 10; N-Isopropyl-N-piperidin-4-yl-3-trifluoromethylbenzenesulfonamide (19); [0258] NaB(OAc)3H (14 g, 66 mmol, Aldrich) was added to a mixture of compound 14 (10 g, 50 mmol, Aldrich), compound 15 (3 g, 52.5 mmol, Aldrich), molecular sieves (4A beads, 2Og, Aldrich) in DCE (200 ml) at 0 0C. The resulting mixture was stirred at room temperature for 24 hours. The reaction mixture was quenched with MeOH (2ml), filtered over celite, washed with water, 2N NaOH and concentrated under vacuum to afford crude compound 16 as a colorless oil. Compound 17 (12 g, 49 mmol, Aldrich) was added to a mixture of the above crude compound 16, TEA (10 ml) and DCM (10 ml) at room temperature. The resulting mixture was heated and stirred at 37 0C for 2 days. The reaction mixture was then cooled to room temperature, washed with water (10 ml), brine, concentrated and purified by column (silica gel, EtOAc/hexanes 3/7) to obtain compound 18 as a sticky oil (10 g, yield 45% in two steps), which was dissolved in 100 ml of 1,4-dioxane. HCl (10 ml, concentrated aq.) was added to the 1,4-dioxane solution at room temperature. The resulting mixture was stirred at room temperature for 48 hours, and concentrated under vacuum. The residue was washed with ethyl ether, and dried to obtain the title compound 19 as HCl-salt, which was suspended in EtOAc, and neutralized with IN <n="87"/>NaOH aq, concentrated and dried under vacuum to give compound 19 as colorless oil (5 g, yield 65%).
  • 2
  • [ 777-44-6 ]
  • [ 6976-17-6 ]
  • [ 85845-50-7 ]
YieldReaction ConditionsOperation in experiment
71% With potassium hydroxide; In tetrahydrofuran; water; at 0 - 20℃;Cooling with ice; Synthesis of the Acid Unit AC-13: 4-[Methyl-[[3-(trifluoromethyl)phenyl]sulfonyl]-amino]-butyric acid (AC-13) 4-(Methylamino)butanoic acid hydrochloride (10, 15.1 g, 98.1 mmol) was added to a solution of KOH (16.5 g, 294 mmol) in H2O (75 ml) and the reaction mixture was cooled in an ice bath. A solution of 3-(trifluoromethyl)benzenesulfonyl chloride (9, 12.0 g, 49.1 mmol) in THF (75 ml) was added dropwise to the reaction mixture and the mixture was stirred at room temperature overnight. Aqueous 6 M HCl (75 ml) was added, while cooling with an ice bath, and the addition of CH2Cl2 then followed. The organic phase was separated, washed with sat. NaCl solution, dried over Na2SO4 and concentrated and the residue was co-evaporated with a minimal amount of diethyl ether. Recrystallization of the residue from ethyl acetate/heptane gave AC-13 (11.32 g, 71percent).
71% Synthesis of Acid Building Block S-13; 4-[Methyl-[[3-(trifluoromethyl)phenyl]sulfonyl]-amino]-butyric acid (S-13) To a solution of KOH (16.5 g, 294 mmol) in H2O (75 ml) was added <strong>[6976-17-6]4-(methylamino)butyric acid hydrochloride</strong> (10, 15.1 g, 98.1 mmol) and the reaction mixture was cooled with an icebath. A solution of 3-(trifluoromethyl)benzene-sulfonyl chloride (9, 12.0 g, 49.1 mmol) in THF (75 ml) was dropwise added to the reaction mixture and stirring was continued at room temperature overnight. Aqueous 6 M HCl (75 ml) was added to the reaction mixture while cooling with an icebath, after which CH2Cl2 was added. The organic layer was separated, washed with brine, dried (Na2SO4), concentrated and co-evaporated with a minimal amount of Et2O. Crystallization of the residue out of EtOAc/heptane resulted in S-13 (11.32 g, 71percent).
71% To a solution of KOH (16.5 g, 294 mmol) in H2O (75 mL) was added 4- (methylamino)butyric acid hydrochloride (10, 15.1 g, 98.1 mmol) and the reaction mixture was cooled with an icebath. A solution of 3-(trifluoromethyl)benzenesulphonyl chloride (9, 12.0 g, 49.1 mmol) in THF (75 mL) was dropwise added to the reaction mixture and stirring was continued at room temperature overnight. Aqueous 6 M HCI (75 mL) was added to the reaction mixture while cooling with an icebath, after which CH2CI2 was added. The organic layer was separated, washed with brine, dried (Na2SO4), concentrated and co-evaporated with a minimal amount of Et2O. Crystallization of the residue out of EtOAc/heptane resulted in 11 (11.32 g, 71 percent)
  • 3
  • [ 832710-65-3 ]
  • [ 777-44-6 ]
  • [ 1349632-83-2 ]
YieldReaction ConditionsOperation in experiment
22% With triethylamine; In dichloromethane; for 16h; 2,8-Diazaspiro[4.5]decan-1 -one hydrogen chloride (200 mg, 1.049 mmol) was dissolved in a mixture of dichloromethane (10 mL) and triethylamine (0.439 mL, 3.15 mmol), and 3-(trifluoromethyl)benzenesulfonyl chloride (308 mg, 1.259 mmol) was added. After 16 h, the reaction mixture was concentrated in vacuo, and the resulting residue was purified by silica column chromatography on SP4 (gradient elution: 0 - 20% MeOH - DCM) to give two batches of the desired product as white solids: 8-[3- (trifluoromethyl)phenyl]sulfonyl}-2,8-diazaspiro[4.5]decan-1 -one (204 mg, 0.557 mmol, 53% yield) and 8-[3-(trifluoromethyl)phenyl]sulfonyl}-2,8- diazaspiro[4.5]decan-1 -one (83 mg, 0.227 mmol, 22% yield). 1 H NMR (400 MHz, DMSO-de) delta ppm 1 .45 (ddd, J=13.47, 3.55, 3.43 Hz, 2 H) 1.62 - 1 .71 (m, 2 H) 1 .76 (t, J=6.80 Hz, 2 H) 2.59 - 2.69 (m, 2 H) 3.08 (t, J=6.82 Hz, 2 H) 3.47 - 3.56 (m, 2 H) 7.60 (s, 1 H) 7.92 (t, J=7.87 Hz, 1 H) 7.98 (br. s., 1 H) 8.08 (d, J=8.00 Hz, 1 H) 8.14 (d, J=7.78 Hz, 1 H). MS ES+ve m/z 363 (M+H).
  • 4
  • [ 777-44-6 ]
  • [ 341988-36-1 ]
  • methyl 1-((3-(trifluoromethyl)phenyl)sulfonyl)indoline-6-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% With potassium carbonate; In acetone; at 20℃; To the solution of methyl ind line~6-carboxyiate (150 mg, 0,85 mmoi) in 5 ml acetone were added K2CO3 (351 mg, 2.54 mmoi) and 3-(triuQromethyl)benzenesuifonyi chloride (271 mu,, 1.69 mmoi). The reaction mixture was stirred at room temperature overnight. The completion of the reaction was monitored by HPLC Upon completion, the solvent was removed in vacuo. The crude product was purified by Combiflash silica gel chromatography (0-20percent of EtOAc in hexarse), which provided 277 mg (85percent) of the title compound as a colorless solid; 1H NMR (400 MHz, CDCis) 5 = 8.25 (d, J - 1.5 Hz, 1 H), 8.12 (s, 1 H), 8.00 (d, J - 8.1 Hz, 1 H), 7.84 (d, J = 7.9 Hz, 1 H), 7,74 (d.d, J =· 1.4, 7.8 Hz, 1 H), 7.66 - 7.58 (m, 1 H), 7.17 (d, J - 7.9 Hz, 1 H), 4.01 (t, J - 8.6 Hz, 2 H), 3.95 (s, 3 H), 3.00 (t, J ~ 8.6 Hz, 2 H).
  • 5
  • [ 777-44-6 ]
  • [ 38226-86-7 ]
  • 5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-4-oxo-4,8,9,10-tetrahydropyrano[2,3-f]chromen-3-yl 3-(trifluoromethyl)benzenesulfonate [ No CAS ]
YieldReaction ConditionsOperation in experiment
75.4% With triethylamine; In dichloromethane; at 25℃; for 4h; General procedure: To a mechanically stirred suspension of suspension of 1 (0.21 g, 0.53 mmol) in 30 ml CH2Cl2 were added triethylamine (0.5 ml) and aromatic sulfonyl chloride (0.53 mmol) at 25 C for 4 h. The reaction process was detected by TLC method. Then, antagonized by dilute sodium hydroxide, extracted, and washed with ether and water, evaporated under vacuum. Finally, the mixture was recrys-tallizated from ethyl acetate , providing a total product yield of 65.4%-88.6 %.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 777-44-6 ]

Fluorinated Building Blocks

Chemical Structure| 2991-42-6

[ 2991-42-6 ]

4-(Trifluoromethyl)benzenesulfonyl chloride

Similarity: 1.00

Chemical Structure| 39234-86-1

[ 39234-86-1 ]

3,5-Bis(trifluoromethyl)benzene-1-sulfonyl chloride

Similarity: 0.98

Chemical Structure| 1682-10-6

[ 1682-10-6 ]

4-Fluoro-3-(trifluoromethyl)benzene-1-sulfonyl chloride

Similarity: 0.91

Chemical Structure| 776-04-5

[ 776-04-5 ]

2-(Trifluoromethyl)benzenesulfonyl chloride

Similarity: 0.91

Chemical Structure| 942199-59-9

[ 942199-59-9 ]

4-Cyano-3-(trifluoromethyl)benzene-1-sulfonyl chloride

Similarity: 0.89

Aryls

Chemical Structure| 2991-42-6

[ 2991-42-6 ]

4-(Trifluoromethyl)benzenesulfonyl chloride

Similarity: 1.00

Chemical Structure| 39234-86-1

[ 39234-86-1 ]

3,5-Bis(trifluoromethyl)benzene-1-sulfonyl chloride

Similarity: 0.98

Chemical Structure| 1682-10-6

[ 1682-10-6 ]

4-Fluoro-3-(trifluoromethyl)benzene-1-sulfonyl chloride

Similarity: 0.91

Chemical Structure| 776-04-5

[ 776-04-5 ]

2-(Trifluoromethyl)benzenesulfonyl chloride

Similarity: 0.91

Chemical Structure| 942199-59-9

[ 942199-59-9 ]

4-Cyano-3-(trifluoromethyl)benzene-1-sulfonyl chloride

Similarity: 0.89

Sulfonyl Chlorides

Chemical Structure| 2991-42-6

[ 2991-42-6 ]

4-(Trifluoromethyl)benzenesulfonyl chloride

Similarity: 1.00

Chemical Structure| 39234-86-1

[ 39234-86-1 ]

3,5-Bis(trifluoromethyl)benzene-1-sulfonyl chloride

Similarity: 0.98

Chemical Structure| 1682-10-6

[ 1682-10-6 ]

4-Fluoro-3-(trifluoromethyl)benzene-1-sulfonyl chloride

Similarity: 0.91

Chemical Structure| 776-04-5

[ 776-04-5 ]

2-(Trifluoromethyl)benzenesulfonyl chloride

Similarity: 0.91

Chemical Structure| 942199-59-9

[ 942199-59-9 ]

4-Cyano-3-(trifluoromethyl)benzene-1-sulfonyl chloride

Similarity: 0.89

Chlorides

Chemical Structure| 2991-42-6

[ 2991-42-6 ]

4-(Trifluoromethyl)benzenesulfonyl chloride

Similarity: 1.00

Chemical Structure| 39234-86-1

[ 39234-86-1 ]

3,5-Bis(trifluoromethyl)benzene-1-sulfonyl chloride

Similarity: 0.98

Chemical Structure| 1682-10-6

[ 1682-10-6 ]

4-Fluoro-3-(trifluoromethyl)benzene-1-sulfonyl chloride

Similarity: 0.91

Chemical Structure| 776-04-5

[ 776-04-5 ]

2-(Trifluoromethyl)benzenesulfonyl chloride

Similarity: 0.91

Chemical Structure| 942199-59-9

[ 942199-59-9 ]

4-Cyano-3-(trifluoromethyl)benzene-1-sulfonyl chloride

Similarity: 0.89

Trifluoromethyls

Chemical Structure| 2991-42-6

[ 2991-42-6 ]

4-(Trifluoromethyl)benzenesulfonyl chloride

Similarity: 1.00

Chemical Structure| 39234-86-1

[ 39234-86-1 ]

3,5-Bis(trifluoromethyl)benzene-1-sulfonyl chloride

Similarity: 0.98

Chemical Structure| 1682-10-6

[ 1682-10-6 ]

4-Fluoro-3-(trifluoromethyl)benzene-1-sulfonyl chloride

Similarity: 0.91

Chemical Structure| 776-04-5

[ 776-04-5 ]

2-(Trifluoromethyl)benzenesulfonyl chloride

Similarity: 0.91

Chemical Structure| 942199-59-9

[ 942199-59-9 ]

4-Cyano-3-(trifluoromethyl)benzene-1-sulfonyl chloride

Similarity: 0.89

; ;