Pyrido(1,2-a)(1,4)benzodiazepine-2-carboxylic acid, 1,4,4a,5-tetrahydro-9-chloro-7-(2-fluorophenyl)-3-methoxy-1-oxo-, methyl ester

Base Information

Chemical Name:Pyrido(1,2-a)(1,4)benzodiazepine-2-carboxylic acid, 1,4,4a,5-tetrahydro-9-chloro-7-(2-fluorophenyl)-3-methoxy-1-oxo-, methyl ester
CAS No.:112634-65-8
Molecular Formula:C₂₂H₁₈ClFN₂O₄
Molecular Weight:428.847
Hs Code.:
DSSTox Substance ID:DTXSID60920856

Synonyms:BRN 5167086;112634-65-8;Pyrido(1,2-a)(1,4)benzodiazepine-2-carboxylic acid, 1,4,4a,5-tetrahydro-9-chloro-7-(2-fluorophenyl)-3-methoxy-1-oxo-, methyl ester;C22H18ClFN2O4;DTXSID60920856;C22-H18-Cl-F-N2-O4;LS-133092;Methyl 9-chloro-7-(2-fluorophenyl)-3-methoxy-1-oxo-1,4,4a,5-tetrahydropyrido[1,2-a][1,4]benzodiazepine-2-carboxylate

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Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Pyrido(1,2-a)(1,4)benzodiazepine-2-carboxylic acid, 1,4,4a,5-tetrahydro-9-chloro-7-(2-fluorophenyl)-3-methoxy-1-oxo-, methyl ester

Chemical Property:

Vapor Pressure:5.49E-13mmHg at 25°C
Boiling Point:569.6°Cat760mmHg
Flash Point:298.3°C
Density:1.4g/cm³
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:428.0939129
Heavy Atom Count:30
Complexity:770

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C(=O)N2C(C1)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F)C(=O)OC

Technology Process of Pyrido(1,2-a)(1,4)benzodiazepine-2-carboxylic acid, 1,4,4a,5-tetrahydro-9-chloro-7-(2-fluorophenyl)-3-methoxy-1-oxo-, methyl ester

There total 3 articles about Pyrido(1,2-a)(1,4)benzodiazepine-2-carboxylic acid, 1,4,4a,5-tetrahydro-9-chloro-7-(2-fluorophenyl)-3-methoxy-1-oxo-, methyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 112634-51-2
7-chloro-2,3-dihydro-5-(2-fluorophenyl)-1H-1,4-benzodiazepine-2-acetic acid methyl ester

: 112634-65-8
9-chloro-7-(2-fluorophenyl)-1,4,4a,5-tetrahydro-3-methoxy-1-oxopyrido<1,2-a><1,4>benzodiazepine-2-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / benzene / 0.5 h / Heating

2: 1. sodium methoxide / 1. methanol, reflux, 5 min.; 2. dichloromethane, 30 min.

With sodium methylate; In benzene;
DOI:10.1002/jhet.5570240327

Reference yield:

: 59468-40-5
7-chloro-1,3-dihydro-5-(2-fluorophenyl)-2H-1,4-benzodiazepin-2-ylidene acetic acid methyl ester

: 112634-65-8
9-chloro-7-(2-fluorophenyl)-1,4,4a,5-tetrahydro-3-methoxy-1-oxopyrido<1,2-a><1,4>benzodiazepine-2-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 86 percent / triethylsilane / trifluoroacetic acid / 0.5 h

2: 88 percent / benzene / 0.5 h / Heating

3: 1. sodium methoxide / 1. methanol, reflux, 5 min.; 2. dichloromethane, 30 min.

With triethylsilane; sodium methylate; In trifluoroacetic acid; benzene;
DOI:10.1002/jhet.5570240327

Reference yield:

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 112634-63-6
7-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-<(ethoxycarbonyl)acetyl>-1H-1,4-benzodiazepine-2-acetic acid methyl ester

: 112634-65-8
9-chloro-7-(2-fluorophenyl)-1,4,4a,5-tetrahydro-3-methoxy-1-oxopyrido<1,2-a><1,4>benzodiazepine-2-carboxylic acid methyl ester

Guidance literature:: With sodium methylate; Yield given. Multistep reaction; 1. methanol, reflux, 5 min.; 2. dichloromethane, 30 min.;
DOI:10.1002/jhet.5570240327