13-cyclohexyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid

Base Information

Chemical Name:13-cyclohexyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid
CAS No.:863630-58-4
Molecular Formula:C₂₃H₂₄N₂O₂
Molecular Weight:360.456
Hs Code.:
ChEMBL ID:CHEMBL217772
DSSTox Substance ID:DTXSID401134260

Synonyms:13-cyclohexyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid;CHEMBL1203925;SCHEMBL804196;CHEMBL217772;AKBURUJPDKRCFY-UHFFFAOYSA-N;DTXSID401134260;BDBM50370762;863630-58-4;(13-cyclohexyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carboxylic acid;13-cyclohexyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-carboxylic acid

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Chemical Property of 13-cyclohexyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid

Chemical Property:

XLogP3:5.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:360.183778013
Heavy Atom Count:27
Complexity:547

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCC(CC1)C2=C3C4=CC=CC=C4NCCN3C5=C2C=CC(=C5)C(=O)O

Technology Process of 13-cyclohexyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid

There total 6 articles about 13-cyclohexyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid 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: 76.0%

: 863566-98-7
13-cyclohexyl-6,7-dihydro-5H-benzo[5,6][1,4]diazepino[7,1-a]indole-10-carboxylic acid methyl ester

: 863630-58-4
13-cyclohexyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-carboxylic acid

Guidance literature:: 13-cyclohexyl-6,7-dihydro-5H-benzo[5,6][1,4]diazepino[7,1-a]indole-10-carboxylic acid methyl ester; With methanol; sodium hydroxide; water; In tetrahydrofuran; at 50 ℃; for 5h;

With trifluoroacetic acid;

Reference yield:

: 615-36-1
2-bromoaniline

: 863630-58-4
13-cyclohexyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-carboxylic acid

Guidance literature:: Multi-step reaction with 6 steps

1.1: 64 percent / Et₃N / PdCl₂(dppf)*CH₂Cl₂ / dioxane / 3 h / 100 °C

2.1: 96 percent / NaHCO₃ / Pd(PPh₃)4 / 1,2-dimethoxy-ethane; H₂O / 7 h / Heating

3.1: 100 percent / AcONa; AcOH / tetrahydrofuran / 2 h / 20 °C

4.1: 93 percent / NaH / dimethylformamide / 2 h / 20 °C

5.1: BH₃*THF / tetrahydrofuran / 4 h / 20 °C

5.2: 94 percent / aq. HCl / tetrahydrofuran / 1 h / 70 °C

6.1: aq. NaOH / tetrahydrofuran; methanol / 36 h / 20 °C

With sodium hydroxide; borane-THF; sodium acetate; sodium hydride; sodium hydrogencarbonate; acetic acid; triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In tetrahydrofuran; 1,4-dioxane; methanol; 1,2-dimethoxyethane; water; N,N-dimethyl-formamide; 2.1: Suzuki coupling;
DOI:10.1021/jm0610245

Reference yield:

: 191171-55-8
2-anilineboronic acid pinacol ester

: 863630-58-4
13-cyclohexyl-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-carboxylic acid

Guidance literature:: Multi-step reaction with 5 steps

1.1: 96 percent / NaHCO₃ / Pd(PPh₃)4 / 1,2-dimethoxy-ethane; H₂O / 7 h / Heating

2.1: 100 percent / AcONa; AcOH / tetrahydrofuran / 2 h / 20 °C

3.1: 93 percent / NaH / dimethylformamide / 2 h / 20 °C

4.1: BH₃*THF / tetrahydrofuran / 4 h / 20 °C

4.2: 94 percent / aq. HCl / tetrahydrofuran / 1 h / 70 °C

5.1: aq. NaOH / tetrahydrofuran; methanol / 36 h / 20 °C

With sodium hydroxide; borane-THF; sodium acetate; sodium hydride; sodium hydrogencarbonate; acetic acid; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; methanol; 1,2-dimethoxyethane; water; N,N-dimethyl-formamide; 1.1: Suzuki coupling;
DOI:10.1021/jm0610245