5-[2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1-methyl-1,4,5,10-tetrahydro pyrazolo[3,4-b][1,5]benzodiazepine

Base Information

• Chemical Name: 5-[2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1-methyl-1,4,5,10-tetrahydro pyrazolo[3,4-b][1,5]benzodiazepine
• CAS No.: 1209963-38-1
• Molecular Formula: C₂₂H₁₉ClN₆O
• Molecular Weight: 418.885
• Mol file: 1209963-38-1.mol

Synonyms:5-[2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1-methyl-1,4,5,10-tetrahydro pyrazolo[3,4-b][1,5]benzodiazepine

Chemical Property of 5-[2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1-methyl-1,4,5,10-tetrahydro pyrazolo[3,4-b][1,5]benzodiazepine

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 5-[2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1-methyl-1,4,5,10-tetrahydro pyrazolo[3,4-b][1,5]benzodiazepine

There total 6 articles about 5-[2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1-methyl-1,4,5,10-tetrahydro pyrazolo[3,4-b][1,5]benzodiazepine 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: 81.0%

2-chloro-4-(3-methyl-1H-pyrazol-1-yl)-benzoic acid (220461-68-7) + 1-methyl-1,4,5,10-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine (479234-83-8) → 5-[2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1-methyl-1,4,5,10-tetrahydro pyrazolo[3,4-b][1,5]benzodiazepine (1209963-38-1)

Guidance literature:

2-chloro-4-(3-methyl-1H-pyrazol-1-yl)-benzoic acid; With 1-methyl-pyrrolidin-2-one; thionyl chloride; In dichloromethane; at 20 ℃; Inert atmosphere;

1-methyl-1,4,5,10-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine; at 80 ℃; for 0.133333h; Microwave irradiation;

DOI:10.1021/acs.jmedchem.8b00697

Reference yield:

2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl chloride (233755-70-9) + 1-methyl-1,4,5,10-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine (479234-83-8) → 5-[2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1-methyl-1,4,5,10-tetrahydro pyrazolo[3,4-b][1,5]benzodiazepine (1209963-38-1) + C22H19ClN6O

Guidance literature:

With pyridine; dmap; In dichloromethane; at 80 ℃; for 0.133333h; under 1500.15 Torr; Microwave irradiation;

DOI:10.1021/jm901084f

Reference yield:

2-chloro-4-(3-methylpyrazol-1-yl)benzoic acid methyl ester (220462-02-2) → 5-[2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1-methyl-1,4,5,10-tetrahydro pyrazolo[3,4-b][1,5]benzodiazepine (1209963-38-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride; acetic acid / 7 h / Reflux

2.1: thionyl chloride; 1-methyl-pyrrolidin-2-one / dichloromethane / 20 °C / Inert atmosphere

2.2: 0.13 h / 80 °C / Microwave irradiation

With 1-methyl-pyrrolidin-2-one; hydrogenchloride; thionyl chloride; acetic acid; In dichloromethane;

DOI:10.1021/acs.jmedchem.8b00697

upstream raw materials:

2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl chloride

1-methyl-1,4,5,10-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine

2-chloro-4-(3-methylpyrazol-1-yl)benzoic acid methyl ester

2-chloro-4-(3-methyl-1H-pyrazol-1-yl)-benzoic acid