1-(Phenylsulfonyl)cyclopentanecarboxylic acid

Base Information

• Chemical Name: 1-(Phenylsulfonyl)cyclopentanecarboxylic acid
• CAS No.: 134937-34-1
• Molecular Formula: C12H14O4S
• Molecular Weight: 254.3
• European Community (EC) Number: 851-771-2
• DSSTox Substance ID: DTXSID60565746
• Nikkaji Number: J394.150G
• Wikidata: Q82450995
• Mol file: 134937-34-1.mol

Synonyms:1-(phenylsulfonyl)cyclopentanecarboxylic acid;134937-34-1;1-(benzenesulfonyl)cyclopentane-1-carboxylic acid;DTXSID60565746;AKOS008081461;CS-0242805;EN300-25554;G57502;Z211318962

Chemical Property of 1-(Phenylsulfonyl)cyclopentanecarboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.589
• Boiling Point: 487.6°Cat760mmHg
• Flash Point: 248.7°C
• PSA: 79.82000
• Density: 1.362g/cm³
• LogP: 2.93850
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 254.06128010
• Heavy Atom Count: 17
• Complexity: 381

Purity/Quality:

97% ^*data from raw suppliers

1-(benzenesulfonyl)cyclopentane-1-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)(C(=O)O)S(=O)(=O)C2=CC=CC=C2

Technology Process of 1-(Phenylsulfonyl)cyclopentanecarboxylic acid

There total 4 articles about 1-(Phenylsulfonyl)cyclopentanecarboxylic 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: 95.0%

ethyl 1-(phenylsulfonyl)cyclopentanecarboxylate (140244-14-0) → 1-(phenylsulfonyl)cyclopentanecarboxylic acid (134937-34-1)

Guidance literature:

With potassium hydroxide; In ethanol; for 2h; Heating;

Reference yield: 47.0%

1-(phenylsulfonyl)cyclopentanecarbonitrile (170803-75-5) → 1-(phenylsulfonyl)cyclopentanecarboxylic acid (134937-34-1)

Guidance literature:

With sulfuric acid; acetic acid; for 9h; Heating;

Reference yield:

ethyl 2-phenylsulfonylacetate (7605-30-3) → 1-(phenylsulfonyl)cyclopentanecarboxylic acid (134937-34-1)

Guidance literature:

Multi-step reaction with 2 steps

1: TEBA, 50percent aq. NaOH / 1.5 h / 50 - 60 °C

2: KOH / methanol / 0.25 h / Heating

With potassium hydroxide; sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In methanol;

upstream raw materials:

ethyl 1-(phenylsulfonyl)cyclopentanecarboxylate

1-(phenylsulfonyl)cyclopentanecarbonitrile

2-(phenylsulfonyl)acetonitrile

ethyl 2-phenylsulfonylacetate

Refernces

• 1、 Ratajczak, Aleksander,Polanski, Jaroslaw. "A CONVENIENT SYNTHESIS OF PHENYLSULFONYLALKANOIC ACIDS". . p. 1271 - 1275. Retrieved 2007/10/02.