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. 1378390-29-4 ] {[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| 1378390-29-4
Chemical Structure| 1378390-29-4
Structure of 1378390-29-4 * 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 [ 1378390-29-4 ]

Related Doc. of [ 1378390-29-4 ]

Alternatived Products of [ 1378390-29-4 ]
Product Citations

Product Details of [ 1378390-29-4 ]

CAS No. :1378390-29-4 MDL No. :MFCD30187855
Formula : C19H15BrO3 Boiling Point : -
Linear Structure Formula :- InChI Key :NEADWTKOYDYIHL-UHFFFAOYSA-N
M.W : 371.22 Pubchem ID :86688342
Synonyms :
Chemical Name :3-(2-Bromoacetyl)-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one

Calculated chemistry of [ 1378390-29-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 23
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.26
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 92.33
TPSA : 43.37 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.96 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.77
Log Po/w (XLOGP3) : 3.67
Log Po/w (WLOGP) : 4.19
Log Po/w (MLOGP) : 2.81
Log Po/w (SILICOS-IT) : 5.53
Consensus Log Po/w : 3.8

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.71
Solubility : 0.00728 mg/ml ; 0.0000196 mol/l
Class : Moderately soluble
Log S (Ali) : -4.27
Solubility : 0.0199 mg/ml ; 0.0000537 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -7.08
Solubility : 0.0000312 mg/ml ; 0.0000000841 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.06

Safety of [ 1378390-29-4 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338-P310-P406-P405 UN#:3261
Hazard Statements:H314-H290 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 1378390-29-4 ]

* 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 [ 1378390-29-4 ]

[ 1378390-29-4 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 364750-81-2 ]
  • [ 1378390-29-4 ]
  • [ 1378390-66-9 ]
YieldReaction ConditionsOperation in experiment
69% With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 60℃; for 3h; 2S,4S)-l-teri-butyl 2-(2-oxo-2-(8-oxo-8,9,l 0,11 -tetrahydro-5H-dibenzo [c,g] chromen-3-yl)ethyl) 4-methylpyrrolidine-l,2-dicarboxylate To a solution of 3-(2-bromoacetyl)-10,l l-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one (647 mg, 1.74 mmol) in MeCN (20 mL) was added ((2S,4S)-l -(tert-butoxycarbonyl)-4-methylpyrrolidine- 2-carboxylic acid (559 mg, 2.44 mmol) and DIPEA (0.36 mL, 2.09 mmol) and the solution was heated to 60 °C. After stirring for 3 h, the solution was cooled to rt, and diluted with EtOAc and washed successively with saturated aqueous NaHCC>3 and brine. The organics were dried over MgS04, filtered and concentrated under reduced pressure. The crude residue was purified by silica column chromatography (20percent to 50percent EtOAc/hexanes) to afford (2S,4S)-1 -tert-butyl 2-(2-oxo-2-(8- oxo-8,9, 10,11 -tetrahydro-5H-dibenzo [c,g]chromen-3-yl)ethyl) 4-methylpyrrolidine- 1 ,2-dicarboxylate (621 mg, 69percent).
69% With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 60℃; for 3h; To a solution of 3-(2-bromoacetyl)-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one (647 mg, 1.74 mmol) in MeCN (20 mL) was added ( <strong>[364750-81-2](2S,4S)-1-(tert-butoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid</strong> (559 mg, 2.44 mmol) and DIPEA (0.36 mL, 2.09 mmol) and the solution was heated to 60° C. After stirring for 3 h, the solution was cooled to rt, and diluted with EtOAc and washed successively with saturated aqueous NaHCO3 and brine. The organics were dried over MgSO4, filtered and concentrated under reduced pressure. The crude residue was purified by silica column chromatography (20percent to 50percent EtOAc/hexanes) to afford (2S,4S)-1-tert-butyl 2-(2-oxo-2-(8-oxo-8,9,10,11-tetrahydro-5H-dibenzo[c,g]chromen-3-yl)ethyl) 4-methylpyrrolidine-1,2-dicarboxylate (621 mg, 69percent).
  • 2
  • [ 334769-80-1 ]
  • [ 1378390-29-4 ]
  • [ 1378390-26-1 ]
YieldReaction ConditionsOperation in experiment
65% With triethylamine; In acetonitrile; at 50℃; for 15h; To a solution of 3-(2-bromoacetyl)-10,l l -dihydro-5H-dibenzo[c,g]chromen-8(9H)-one in MeCN (30 mL) was added (2S,5S)-l -(tert-butoxycarbonyl)-5-methylpyrrolidine-2-carboxylic acid (1.2 g, 3.23 mmol) and triethyl amine (0.48 mL, 3.55 mmol) and the solution was heated to 50 °C. After stirring for 15 h, the solution was cooled to rt, and diluted with EtOAc and washed successively with saturated aqueous NaHCC>3 and brine. The organics were dried over MgSO i, filtered and concentrated under reduced pressure. The crude residue was purified by silica column chromatography (20percent to 50percent> EtOAc/hexanes) to afford (2S,5S)-1 -tert-butyl 2-(2-oxo-2-(8-oxo- 8,9,10, 11 -tetrahydro-5H-dibenzo[c,g] chromen-3 -yl)ethyl) 5-methylpyrrolidine-l ,2-dicarboxylate (1.09 g, 65percent).
65% With triethylamine; In acetonitrile; at 50℃; for 15h; To a solution of 3-(2-bromoacetyl)-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one in MeCN (30 mL) was added <strong>[334769-80-1](2S,5S)-1-(tert-butoxycarbonyl)-5-methylpyrrolidine-2-carboxylic acid</strong> (1.2 g, 3.23 mmol) and triethyl amine (0.48 mL, 3.55 mmol) and the solution was heated to 50° C. After stirring for 15 h, the solution was cooled to rt, and diluted with EtOAc and washed successively with saturated aqueous NaHCO3 and brine. The organics were dried over MgSO4, filtered and concentrated under reduced pressure. The crude residue was purified by silica column chromatography (20percent to 50percent EtOAc/hexanes) to afford (2S,5S)-1-tert-butyl 2-(2-oxo-2-(8-oxo-8,9,10,11-tetrahydro-5H-dibenzo[c,g]chromen-3-yl)ethyl) 5-methylpyrrolidine-1,2-dicarboxylate (1.09 g, 65percent).
Recommend Products
Same Skeleton Products

Technical Information

? Alkyl Halide Occurrence ? Baeyer-Villiger Oxidation ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Bucherer-Bergs Reaction ? Clemmensen Reduction ? Corey-Bakshi-Shibata (CBS) Reduction ? Corey-Chaykovsky Reaction ? Fischer Indole Synthesis ? Friedel-Crafts Reaction ? General Reactivity ? Grignard Reaction ? Henry Nitroaldol Reaction ? Hiyama Cross-Coupling Reaction ? Horner-Wadsworth-Emmons Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Kinetics of Alkyl Halides ? Kumada Cross-Coupling Reaction ? Lawesson's Reagent ? Leuckart-Wallach Reaction ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Passerini Reaction ? Paternò-Büchi Reaction ? Petasis Reaction ? Peterson Olefination ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Aldehydes and Ketones ? Preparation of Alkylbenzene ? Preparation of Amines ? Prins Reaction ? Reactions of Aldehydes and Ketones ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reactions of Dihalides ? Reformatsky Reaction ? Robinson Annulation ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Specialized Acylation Reagents-Ketenes ? Stille Coupling ? Stobbe Condensation ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling ? Tebbe Olefination ? Ugi Reaction ? Vilsmeier-Haack Reaction ? Wittig Reaction ? Wolff-Kishner Reduction
Historical Records

Related Functional Groups of
[ 1378390-29-4 ]

Bromides

Chemical Structure| 1378391-38-8

[ 1378391-38-8 ]

3-(2-Bromo-1-hydroxyethyl)-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one

Similarity: 0.91

Chemical Structure| 31949-21-0

[ 31949-21-0 ]

2-Bromo-1-(2-methoxyphenyl)ethanone

Similarity: 0.81

Chemical Structure| 73220-41-4

[ 73220-41-4 ]

3-Bromo-7-methoxy-4H-chromen-4-one

Similarity: 0.79

Chemical Structure| 5000-65-7

[ 5000-65-7 ]

2-Bromo-1-(3-methoxyphenyl)ethanone

Similarity: 0.79

Chemical Structure| 1835-02-5

[ 1835-02-5 ]

2-Bromo-1-(3,4-dimethoxyphenyl)ethanone

Similarity: 0.78

Ketones

Chemical Structure| 1378391-38-8

[ 1378391-38-8 ]

3-(2-Bromo-1-hydroxyethyl)-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one

Similarity: 0.91

Chemical Structure| 31949-21-0

[ 31949-21-0 ]

2-Bromo-1-(2-methoxyphenyl)ethanone

Similarity: 0.81

Chemical Structure| 73220-41-4

[ 73220-41-4 ]

3-Bromo-7-methoxy-4H-chromen-4-one

Similarity: 0.79

Chemical Structure| 5000-65-7

[ 5000-65-7 ]

2-Bromo-1-(3-methoxyphenyl)ethanone

Similarity: 0.79

Chemical Structure| 1477-19-6

[ 1477-19-6 ]

(2-Ethylbenzofuran-3-yl)(4-hydroxyphenyl)methanone

Similarity: 0.78

Related Parent Nucleus of
[ 1378390-29-4 ]

Other Aromatic Heterocycles

Chemical Structure| 1378391-38-8

[ 1378391-38-8 ]

3-(2-Bromo-1-hydroxyethyl)-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one

Similarity: 0.91

Chemical Structure| 73220-41-4

[ 73220-41-4 ]

3-Bromo-7-methoxy-4H-chromen-4-one

Similarity: 0.79

Chemical Structure| 4504-87-4

[ 4504-87-4 ]

Dibenzo[b,e]oxepin-11(6H)-one

Similarity: 0.78

Chemical Structure| 215999-39-6

[ 215999-39-6 ]

3-Bromo-6-methoxy-2-phenyl-4H-chromen-4-one

Similarity: 0.78

Chemical Structure| 98232-51-0

[ 98232-51-0 ]

8-Methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one

Similarity: 0.76

; ;