C₂₁H₂₇ClN₄O₃S

Base Information

• Chemical Name: C₂₁H₂₇ClN₄O₃S
• CAS No.: 1048690-57-8
• Molecular Formula: C₂₁H₂₇ClN₄O₃S
• Molecular Weight: 450.989
• Mol file: 1048690-57-8.mol

Synonyms:C₂₁H₂₇ClN₄O₃S

Chemical Property of C₂₁H₂₇ClN₄O₃S

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₂₁H₂₇ClN₄O₃S

There total 9 articles about C₂₁H₂₇ClN₄O₃S 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:

2-chloro-5-[5-methanesulfonyl-1-(3-pyrrolidin-1-yl-propyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-benzonitrile (1048034-91-8) → C21H27ClN4O3S (1048690-57-8)

Guidance literature:

2-chloro-5-[5-methanesulfonyl-1-(3-pyrrolidin-1-yl-propyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-benzonitrile; With diisobutylaluminium hydride; In dichloromethane; toluene; at 0 - 20 ℃; for 4.5h;

With methanol; sulfuric acid; water; In dichloromethane; toluene;

Reference yield:

3-Cyano-4-chloro-benzoic acid (117738-76-8) → C21H27ClN4O3S (1048690-57-8)

Guidance literature:

Multi-step reaction with 6 steps

1.1: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 3 h

2.1: triethylamine / dichloromethane / 18 h / 0 - 20 °C

2.2: 18 h / 0 - 20 °C

3.1: caesium carbonate / N,N-dimethyl-formamide / 108 h

4.1: hydrogenchloride; water / acetone / 18 - 20 h / 55 °C

5.1: acetic acid / dichloromethane / 0.17 h

5.2: 60 h

6.1: diisobutylaluminium hydride / dichloromethane; toluene / 4.5 h / 0 - 20 °C

With hydrogenchloride; oxalyl dichloride; water; diisobutylaluminium hydride; caesium carbonate; acetic acid; triethylamine; N,N-dimethyl-formamide; In dichloromethane; N,N-dimethyl-formamide; acetone; toluene;

Reference yield:

C11H20N2O2S (1048034-93-0) → C21H27ClN4O3S (1048690-57-8)

Guidance literature:

Multi-step reaction with 5 steps

1.1: triethylamine / dichloromethane / 18 h / 0 - 20 °C

1.2: 18 h / 0 - 20 °C

2.1: caesium carbonate / N,N-dimethyl-formamide / 108 h

3.1: hydrogenchloride; water / acetone / 18 - 20 h / 55 °C

4.1: acetic acid / dichloromethane / 0.17 h

4.2: 60 h

5.1: diisobutylaluminium hydride / dichloromethane; toluene / 4.5 h / 0 - 20 °C

With hydrogenchloride; water; diisobutylaluminium hydride; caesium carbonate; acetic acid; triethylamine; In dichloromethane; N,N-dimethyl-formamide; acetone; toluene;

upstream raw materials:

2-chloro-5-[5-methanesulfonyl-1-(3-pyrrolidin-1-yl-propyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-benzonitrile

C₁₁H₂₀N₂O₂S

2-chloro-5-(5-methanesulfonyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-benzonitrile

C₁₇H₁₇ClN₄O₃S

Downstream raw materials:

(2-chloro-5-[5-methanesulfonyl-1-(3-pyrrolidin-1-yl-propyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-phenyl)-methanol

3-[4-chloro-3-(4-fluoro-benzyloxymethyl)-phenyl]-5-methanesulfonyl-1-(3-pyrrolidin-1-yl-propyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

4-fluoro-benzoic acid 2-chloro-5-[5-methanesulfonyl-1-(3-pyrrolidin-1-yl-propyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-benzyl ester