1-(3-Chlorophenyl)cyclopentane-1-carboxylic acid

Base Information

• Chemical Name: 1-(3-Chlorophenyl)cyclopentane-1-carboxylic acid
• CAS No.: 143328-21-6
• Molecular Formula: C12H13ClO2
• Molecular Weight: 224.687
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID70577810
• Wikidata: Q82467911
• Mol file: 143328-21-6.mol

Synonyms:143328-21-6;1-(3-chlorophenyl)cyclopentanecarboxylic acid;1-(3-Chlorophenyl)cyclopentane-1-carboxylic acid;MFCD03161248;1-(3-Chlorophenyl)cyclopentanecarboxylicacid;SCHEMBL3110960;DTXSID70577810;AKOS000125654;AS-48736;SY168511;CS-0044935;EN300-36732;F53100;A920358;Z361883520

Chemical Property of 1-(3-Chlorophenyl)cyclopentane-1-carboxylic acid

Chemical Property:

• PSA: 37.30000
• LogP: 3.23640
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 224.0604073
• Heavy Atom Count: 15
• Complexity: 246

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Chlorophenyl)cyclopentanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)(C2=CC(=CC=C2)Cl)C(=O)O
• Uses: A halo-substituted phenylcyclopentyl compound incorporated in the structure of semisynthetic penicillins and cephalosporins to enhance bactericidal activity and reduce toxicities.

Technology Process of 1-(3-Chlorophenyl)cyclopentane-1-carboxylic acid

There total 3 articles about 1-(3-Chlorophenyl)cyclopentane-1-carboxylic 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: 72.7%

1-(3-chlorophenyl)cyclopentane-1-nitrile (143328-16-9) → 1-(3-chlorophenyl)cyclopentanecarboxylic acid (143328-21-6)

Guidance literature:

With potassium hydroxide; In various solvent(s); for 12h; Heating;

DOI:10.1007/BF00766460

Reference yield:

3-chloro-benzeneacetonitrile (1529-41-5) → 1-(3-chlorophenyl)cyclopentanecarboxylic acid (143328-21-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaOH / 1.) 45 deg C, 2.) 120 deg C, 12 h

2: 72.7 percent / KOH / various solvent(s) / 12 h / Heating

With potassium hydroxide; sodium hydroxide; In various solvent(s);

DOI:10.1007/BF00766460

Reference yield:

→ 1-(3-chlorophenyl)cyclopentanecarboxylic acid (143328-21-6)

Guidance literature:

upstream raw materials:

1-(3-chlorophenyl)cyclopentane-1-nitrile

3-chloro-benzeneacetonitrile

Downstream raw materials:

Sodium; (6R,7R)-7-{[1-(3-chloro-phenyl)-cyclopentanecarbonyl]-amino}-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate

Sodium; (2S,5R,6R)-6-{[1-(3-chloro-phenyl)-cyclopentanecarbonyl]-amino}-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate

1-(3-chlorophenyl)cyclopentane-1-carboxylic acid chloride

Sodium; (6R,7R)-3-acetoxymethyl-7-{[1-(3-chloro-phenyl)-cyclopentanecarbonyl]-amino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate

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