3-cyano-4-isopropylsulfonylbenzoic acid

Base Information

• Chemical Name: 3-cyano-4-isopropylsulfonylbenzoic acid
• CAS No.: 1394031-23-2
• Molecular Formula: C₁₁H₁₁NO₄S
• Molecular Weight: 253.279
• Mol file: 1394031-23-2.mol

Synonyms:3-cyano-4-isopropylsulfonylbenzoic acid

Chemical Property of 3-cyano-4-isopropylsulfonylbenzoic acid

Chemical Property:

Purity/Quality:

Safty Information:

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• Hazard Codes: 

MSDS Files:

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Technology Process of 3-cyano-4-isopropylsulfonylbenzoic acid

There total 4 articles about 3-cyano-4-isopropylsulfonylbenzoic 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:

sodium isopropanethiolate (20607-43-6) + 3-cyano-4-fluorobenzoic acid methyl ester (676602-31-6) → 3-cyano-4-isopropylsulfonylbenzoic acid (1394031-23-2)

Guidance literature:

sodium isopropanethiolate; 3-cyano-4-fluorobenzoic acid methyl ester; In N,N-dimethyl-formamide; at 65 ℃;

With sodium hypochlorite; In water; for 0.166667h;

Reference yield:

C12H13NO2S → 3-cyano-4-isopropylsulfonylbenzoic acid (1394031-23-2)

Guidance literature:

C₁₂H₁₃NO₂S; With sodium hypochlorite; for 0.166667h; Green chemistry;

With hydrogenchloride; In water; pH=1; Green chemistry;

DOI:10.1016/j.tetlet.2014.02.092

Reference yield:

3-cyano-4-fluorobenzoic acid (171050-06-9) → 3-cyano-4-isopropylsulfonylbenzoic acid (1394031-23-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 0.17 h

1.2: 1 h

2.1: N,N-dimethyl-formamide / 65 °C

2.2: 0.17 h

With potassium carbonate; In N,N-dimethyl-formamide;

upstream raw materials:

sodium isopropanethiolate

3-cyano-4-fluorobenzoic acid methyl ester

3-cyano-4-fluorobenzoic acid

Refernces

• 1、 -. "PYRAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS". Paragraph 00289; 00290. . Retrieved 2013/07/31.