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. 179062-06-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 179062-06-7
Chemical Structure| 179062-06-7
Structure of 179062-06-7 * 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 [ 179062-06-7 ]

Related Doc. of [ 179062-06-7 ]

Alternatived Products of [ 179062-06-7 ]
Product Citations

Product Details of [ 179062-06-7 ]

CAS No. :179062-06-7 MDL No. :MFCD04038250
Formula : C7H6F4N2 Boiling Point : -
Linear Structure Formula :- InChI Key :WMKGEQCSIZQIEK-UHFFFAOYSA-N
M.W : 194.13 Pubchem ID :2774460
Synonyms :

Calculated chemistry of [ 179062-06-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 40.21
TPSA : 52.04 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.39 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.26
Log Po/w (XLOGP3) : 1.54
Log Po/w (WLOGP) : 3.6
Log Po/w (MLOGP) : 2.33
Log Po/w (SILICOS-IT) : 1.86
Consensus Log Po/w : 2.12

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.29
Solubility : 0.997 mg/ml ; 0.00514 mol/l
Class : Soluble
Log S (Ali) : -2.24
Solubility : 1.11 mg/ml ; 0.00573 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.85
Solubility : 0.275 mg/ml ; 0.00142 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.44

Safety of [ 179062-06-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 179062-06-7 ]

* 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 [ 179062-06-7 ]

[ 179062-06-7 ] Synthesis Path-Downstream   1~12

  • 1
  • [ 144-62-7 ]
  • [ 179062-06-7 ]
  • 6-Fluoro-7-trifluoromethyl-1,4-dihydro-2,3-quinoxalinedione [ No CAS ]
  • 2
  • [ 428871-73-2 ]
  • [ 179062-06-7 ]
  • 3
  • [ 847615-39-8 ]
  • [ 179062-06-7 ]
  • [ 904283-21-2 ]
  • 4
  • [ 846049-52-3 ]
  • [ 179062-06-7 ]
  • [ 846049-68-1 ]
  • 5
  • [ 846049-67-0 ]
  • [ 179062-06-7 ]
  • [ 846049-70-5 ]
  • 6
  • 3-fluoro-4-trifluoromethylaniline [ No CAS ]
  • [ 179062-06-7 ]
  • 7
  • [ 1026932-27-3 ]
  • [ 179062-06-7 ]
  • 8
  • [ 1026828-94-3 ]
  • [ 179062-06-7 ]
  • 9
  • [ 179062-05-6 ]
  • [ 179062-06-7 ]
YieldReaction ConditionsOperation in experiment
95% palladium-carbon; In ethanol; D. 3,4-Diamino-6-fluorobenzotrifluoride A mixture of 3-amino-6-fluoro-4-nitrobenzotrifluoride (328 mg, 1.45 mmol) and 10% Pd/C (50 mg) in ethanol (15 mL) was hydrogenated for 2 h at 25 C. under 25 psi H2. The catalyst was removed by filtration with celite and the solvent was removed by rota-evaporation to give 270 mg of 3,4-diamino-6-fluorobenzotrifluoride (95%) as a brown solid. 1 H NMR (CDCl3): delta3.432 (br, 4H), 6.469 (d, 1H, J=8.4 Hz); 6.860 (d, 1H, J=6.6 Hz).
With tin(ll) chloride; In ethanol; at 65 - 70℃; To a stirred solution of 11.35 g (50.6 mmol) of the nitroaniline 18a in 250 mL of ethanol was added 57.1 g (253 mmol) of tin (II) chloride dihydrate at room temperature. The reaction was heated at 65-70 C. for 45 minutes. The reaction was cooled and poured into 900 mL of ice water. It was basified to pH 8 with solid sodium bicarbonate and extracted with ethyl acetate. The combined organic extracts were washed with brine, dried over anhydrous sodium sulfate, and evaporated to give 9.33 g of compound 19a as a dark red solid. Calcd for C7H6F4N4.H+=195; Found m/z=195.
  • 10
  • C19H24BrNO2 [ No CAS ]
  • [ 179062-06-7 ]
  • [ 846049-68-1 ]
YieldReaction ConditionsOperation in experiment
With sodium hydrogensulfite; In ethanol; for 40.0h;Heating / reflux; To a mixture of 2.8 g (7.4 mmol) of compound 16 in 10 mL of NaHSO3 and 25 mL of ethanol was added 1.43 g (7.4 mmol) of compound 19a. The mixture was stirred under reflux for 40 h and concentrated. The residue was diluted with 60 mL of H2O and extracted with three 80 mL portions of ethyl acetate. The combined organic extracts were washed with 50 mL of brine and concentrated. The residue was purified by silica gel chromatography eluting with a gradient from 10 to 40% ethyl acetate in hexanes to give 1.1 g of compound 11c. Calcd m/z for C25H24BrF4N3O2.H+=556; found m/z=556.
  • 11
  • [ 6153-56-6 ]
  • [ 179062-06-7 ]
  • 6-Fluoro-7-trifluoromethyl-1,4-dihydro-2,3-quinoxalinedione [ No CAS ]
YieldReaction ConditionsOperation in experiment
In hydrogenchloride; sodium hydroxide; E. 6-Fluoro-7-trifluoromethyl-1,4-dihydro-2,3-quinoxalinedione A mixture of <strong>[179062-06-7]3,4-diamino-6-fluorobenzotrifluoride</strong> (270 mg, 1.38 mmol) and oxalic acid dihydrate (200 mg, 1.60 mmol, used as received) in 4N HCl (5 mL) was refluxed at 120-5 C. for 3 h, then cooled to room temperature. The mixture was centrifuged and the liquid layer was removed. The yellow solid was washed twice with cold water (2*2 mL), collected by filtration, and dried at 60 C. under reduced pressure for 2 h, affording 152 mg of crude title compound (40%) as a light yellow powder. The crude compound was dissolved in 1N NaOH (4 mL) and filtered. The filtrate was acidified to pH=5, affording 138 mg of title compound as a yellow powder. Mp: 330-333 C. IR (KBr, cm-1) 3398, 3170, 2959, 1701, 1641, 1515; 1398. 1 H NMR (DMSO-d6): delta7.079 (d, 1H, J=11.4 Hz); 7.376 (d, 1H, J=5.1 Hz); 12.022 (s, 1H); 12.225 (s, 1H). HRMS: calcd for C9 H4 F4 N2 O2 (M+) m/z: 248.0208; found: 248.0220.
  • 12
  • [ 2145-38-2 ]
  • [ 179062-06-7 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 179062-06-7 ]

Fluorinated Building Blocks

Chemical Structure| 261944-56-3

[ 261944-56-3 ]

2,4-Difluoro-5-(trifluoromethyl)aniline

Similarity: 0.90

Chemical Structure| 454-67-1

[ 454-67-1 ]

3-Amino-5-fluorobenzotrifluoride

Similarity: 0.88

Chemical Structure| 827-20-3

[ 827-20-3 ]

5-Fluoro-2-(trifluoromethyl)aniline

Similarity: 0.86

Chemical Structure| 535-52-4

[ 535-52-4 ]

2-Fluoro-5-(trifluoromethyl)aniline

Similarity: 0.84

Chemical Structure| 2357-47-3

[ 2357-47-3 ]

4-Fluoro-3-(trifluoromethyl)aniline

Similarity: 0.84

Aryls

Chemical Structure| 261944-56-3

[ 261944-56-3 ]

2,4-Difluoro-5-(trifluoromethyl)aniline

Similarity: 0.90

Chemical Structure| 454-67-1

[ 454-67-1 ]

3-Amino-5-fluorobenzotrifluoride

Similarity: 0.88

Chemical Structure| 827-20-3

[ 827-20-3 ]

5-Fluoro-2-(trifluoromethyl)aniline

Similarity: 0.86

Chemical Structure| 535-52-4

[ 535-52-4 ]

2-Fluoro-5-(trifluoromethyl)aniline

Similarity: 0.84

Chemical Structure| 2357-47-3

[ 2357-47-3 ]

4-Fluoro-3-(trifluoromethyl)aniline

Similarity: 0.84

Amines

Chemical Structure| 261944-56-3

[ 261944-56-3 ]

2,4-Difluoro-5-(trifluoromethyl)aniline

Similarity: 0.90

Chemical Structure| 454-67-1

[ 454-67-1 ]

3-Amino-5-fluorobenzotrifluoride

Similarity: 0.88

Chemical Structure| 827-20-3

[ 827-20-3 ]

5-Fluoro-2-(trifluoromethyl)aniline

Similarity: 0.86

Chemical Structure| 535-52-4

[ 535-52-4 ]

2-Fluoro-5-(trifluoromethyl)aniline

Similarity: 0.84

Chemical Structure| 2357-47-3

[ 2357-47-3 ]

4-Fluoro-3-(trifluoromethyl)aniline

Similarity: 0.84

Trifluoromethyls

Chemical Structure| 261944-56-3

[ 261944-56-3 ]

2,4-Difluoro-5-(trifluoromethyl)aniline

Similarity: 0.90

Chemical Structure| 454-67-1

[ 454-67-1 ]

3-Amino-5-fluorobenzotrifluoride

Similarity: 0.88

Chemical Structure| 827-20-3

[ 827-20-3 ]

5-Fluoro-2-(trifluoromethyl)aniline

Similarity: 0.86

Chemical Structure| 535-52-4

[ 535-52-4 ]

2-Fluoro-5-(trifluoromethyl)aniline

Similarity: 0.84

Chemical Structure| 2357-47-3

[ 2357-47-3 ]

4-Fluoro-3-(trifluoromethyl)aniline

Similarity: 0.84

; ;