1-(4-Chlorophenyl)cyclopentanecarbonyl chloride

Base Information

• Chemical Name: 1-(4-Chlorophenyl)cyclopentanecarbonyl chloride
• CAS No.: 71501-44-5
• Molecular Formula: C12H12 Cl2 O
• Molecular Weight: 243.133
• Hs Code.: 29162000
• European Community (EC) Number: 275-573-5
• UNII: 8YJ7H6AM4J
• DSSTox Substance ID: DTXSID80221736
• Nikkaji Number: J289.189A
• Wikidata: Q83099678
• Mol file: 71501-44-5.mol

Synonyms:71501-44-5;1-(4-Chlorophenyl)cyclopentanecarbonyl chloride;1-(4-chlorophenyl)-1-cyclopentanecarbonyl chloride;1-(4-chlorophenyl)cyclopentane-1-carbonyl chloride;1-(4-Chlorophenyl)-1-Cyclopentanecarbonylchloride;8YJ7H6AM4J;EINECS 275-573-5;UNII-8YJ7H6AM4J;Cyclopentanecarbonyl chloride, 1-(4-chlorophenyl)-;SCHEMBL1627734;DTXSID80221736;RZHJJILZUKNEKM-UHFFFAOYSA-N;BBL028007;MFCD00044899;STL373551;Cyclopentanecarbonylchloride,1-phenyl-;AKOS015901983;VS-08641;FT-0641353;1-(4-Chlorophenyl)cyclopentanecarbonylchloride;CYCLOPENTANECARBONYLCHLORIDE, 1-PHENYL-;A923453;1-(4-chlorophenyI)-1-cyclopentanecarbonyl chloride;F2190-0121;1-(4-chlorophenyl)-1-cyclopentanecarboxylic acid chloride;1-(4-chlorophenyl)cyclopentane-1-carboxylic acid chloride;1-(4-chlorophenyl)-1-cyclopentanecarbonylchloride, AldrichCPR

Chemical Property of 1-(4-Chlorophenyl)cyclopentanecarbonyl chloride

Chemical Property:

• Vapor Pressure: 0.000428mmHg at 25°C
• Refractive Index: 1.5545-1.5565
• Boiling Point: 315.8°C at 760 mmHg
• Flash Point: 126.3°C
• PSA: 17.07000
• Density: 1.283g/cm³
• LogP: 3.91720
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 242.0265204
• Heavy Atom Count: 15
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Chlorophenyl)-1-cyclopentanecarbonylchloride 98% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Chlorophenyl)cyclopentanecarbonyl chloride

There total 6 articles about 1-(4-Chlorophenyl)cyclopentanecarbonyl chloride 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: 60.1%

1-(4-chlorophenyl)cyclopentane-1-carboxylic acid (80789-69-1) → 1-(4-chlorophenyl)cyclopentane-1-carboxylic acid chloride (71501-44-5)

Guidance literature:

With thionyl chloride; In benzene; for 8h; Heating;

DOI:10.1007/BF00766460

Reference yield:

1-(4-chlorophenyl)cyclopentanecarboxylic acid (64399-26-4) → 1-(4-chlorophenyl)cyclopentane-1-carboxylic acid chloride (71501-44-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 75.5 percent / KOH / various solvent(s) / 12 h / Heating

2: 60.1 percent / SOCl₂ / benzene / 8 h / Heating

With potassium hydroxide; thionyl chloride; In benzene;

DOI:10.1007/BF00766460

Reference yield:

p-chlorobenzyl cyanide (140-53-4) → 1-(4-chlorophenyl)cyclopentane-1-carboxylic acid chloride (71501-44-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydroxide / N,N-dimethyl-formamide / 0.5 h

1.2: 4 h / 50 - 55 °C

2.1: potassium hydroxide / ethylene glycol / 9 h / Reflux

3.1: thionyl chloride / benzene / 6 h / Reflux

With thionyl chloride; potassium hydroxide; sodium hydroxide; In ethylene glycol; N,N-dimethyl-formamide; benzene;

DOI:10.1134/S107036321905027X

upstream raw materials:

1-(4-chlorophenyl)cyclopentane-1-carboxylic acid

1-(4-chlorophenyl)cyclopentanecarboxylic acid

p-chlorobenzyl cyanide

(4-chloro-phenyl)-acetic acid methyl ester

Downstream raw materials:

Sodium; (6R,7R)-7-{[1-(4-chloro-phenyl)-cyclopentanecarbonyl]-amino}-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate

Sodium; (6R,7R)-3-acetoxymethyl-7-{[1-(4-chloro-phenyl)-cyclopentanecarbonyl]-amino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate

C₁₄H₁₈ClNO₂

1-(4-chloro-phenyl)-cyclopentanecarboxylic acid (thiophen-2-ylmethyl)-amide