4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid, 6-(4-chlorophenyl)-8-Methoxy-1-Methyl-, Methyl ester

Base Information

• Chemical Name: 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid, 6-(4-chlorophenyl)-8-Methoxy-1-Methyl-, Methyl ester
• CAS No.: 1260530-41-3
• Molecular Formula: C21H19ClN4O3
• Molecular Weight: 410.85356
• Mol file: 1260530-41-3.mol

Synonyms:4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid, 6-(4-chlorophenyl)-8-Methoxy-1-Methyl-, Methyl ester

Chemical Property of 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid, 6-(4-chlorophenyl)-8-Methoxy-1-Methyl-, Methyl ester

Chemical Property:

• PSA: 78.60000
• LogP: 3.12850

Purity/Quality:

NLT 98% ^*data from raw suppliers

methyl6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4-aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid, 6-(4-chlorophenyl)-8-Methoxy-1-Methyl-, Methyl ester

There total 10 articles about 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid, 6-(4-chlorophenyl)-8-Methoxy-1-Methyl-, 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:

C21H21ClN4O4 → methyl [6-(4-chlorophenyl)-1-methyl-8-(methyloxy)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate (1260530-41-3)

Guidance literature:

With acetic acid; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1021/jm200108t

Reference yield:

methyl [5-(4-chlorophenyl)-7-(methyloxy)-2-thioxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]acetate (1260530-39-9) → methyl [6-(4-chlorophenyl)-1-methyl-8-(methyloxy)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate (1260530-41-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrazine hydrate / tetrahydrofuran / 5 h / 0 °C

1.2: 16 h / 0 - 20 °C

2.1: acetic acid / tetrahydrofuran / 2 h / 20 °C

With hydrazine hydrate; acetic acid; In tetrahydrofuran;

DOI:10.1021/jm200108t

Reference yield:

(S)-methyl 2-(5-(4-chlorophenyl)-7-methoxy-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)acetate (1300019-46-8) → methyl [6-(4-chlorophenyl)-1-methyl-8-(methyloxy)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate (1260530-41-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: Lawessons reagent / toluene / 4 h / Reflux

2.1: hydrazine hydrate / tetrahydrofuran / 5 h / 0 °C

2.2: 16 h / 0 - 20 °C

3.1: acetic acid / tetrahydrofuran / 2 h / 20 °C

With Lawessons reagent; hydrazine hydrate; acetic acid; In tetrahydrofuran; toluene;

DOI:10.1021/jm200108t

upstream raw materials:

(S)-methyl 2-(5-(4-chlorophenyl)-7-methoxy-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)acetate

methyl [5-(4-chlorophenyl)-7-(methyloxy)-2-thioxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]acetate

[2-amino-5-(methyloxy)phenyl](4-chlorophenyl)methanone

Downstream raw materials:

[6-(4-chlorophenyl)-1-methyl-8-(methyloxy)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetic acid

Refernces

• 1、 -. "BENZODIAZEPINE BROMODOMAIN INHIBITOR". Page/Page column 75; 77. . Retrieved 2011/06/11.