Cyclopropanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester

Base Information

• Chemical Name: Cyclopropanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester
• CAS No.: 97383-42-1
• Molecular Formula: C₁₁H₁₂O₄S
• Molecular Weight: 240.28
• DSSTox Substance ID: DTXSID30242911
• Nikkaji Number: J667.564F
• Wikidata: Q83126804
• Mol file: 97383-42-1.mol

Synonyms:97383-42-1;Cyclopropanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester;SCHEMBL4004910;DTXSID30242911;1-(Phenylsulfonyl)cyclopropanecarboxylic acid methyl ester

Chemical Property of Cyclopropanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester

Chemical Property:

• Vapor Pressure: 2.16E-06mmHg at 25°C
• Boiling Point: 393.2°Cat760mmHg
• Flash Point: 191.6°C
• Density: 1.361g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 240.04563003
• Heavy Atom Count: 16
• Complexity: 369

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1(CC1)S(=O)(=O)C2=CC=CC=C2

Technology Process of Cyclopropanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester

There total 2 articles about Cyclopropanecarboxylic acid, 1-(phenylsulfonyl)-, 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: 97.0%

methanol (67-56-1) + 1-(phenylsulfonyl)cyclopropanecarbonyl chloride (97383-47-6) → Methyl 1-phenylsulfonylcyclopropanecarboxylate (97383-42-1)

Guidance literature:

DOI:10.1246/bcsj.58.765

Reference yield:

1-(phenylsulfonyl)cyclopropanecarboxylic acid (97383-41-0) → Methyl 1-phenylsulfonylcyclopropanecarboxylate (97383-42-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 77 percent / SOCl₂

2: 97 percent

With thionyl chloride;

DOI:10.1246/bcsj.58.765

upstream raw materials:

methanol

1-(phenylsulfonyl)cyclopropanecarbonyl chloride

1-(phenylsulfonyl)cyclopropanecarboxylic acid