1-(3-Chlorophenyl)cyclopentanecarbonitrile

Base Information

• Chemical Name: 1-(3-Chlorophenyl)cyclopentanecarbonitrile
• CAS No.: 143328-16-9
• Molecular Formula: C12H12 Cl N
• Molecular Weight: 205.687
• Hs Code.: 29269095
• DSSTox Substance ID: DTXSID60577809
• Wikidata: Q82467910
• Mol file: 143328-16-9.mol

Synonyms:143328-16-9;1-(3-Chlorophenyl)cyclopentanecarbonitrile;1-(3-Chlorophenyl)cyclopentane-1-carbonitrile;1-(3-CHLOROPHENYL)-1-CYCLOPENTANECARBONITRILE;MFCD08459363;SCHEMBL15862897;DTXSID60577809;VAJLOPYWHOVXCC-UHFFFAOYSA-N;AKOS009266430;SY225625;F53099;A925902

Chemical Property of 1-(3-Chlorophenyl)cyclopentanecarbonitrile

Chemical Property:

• PSA: 23.79000
• LogP: 3.67538
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 205.0658271
• Heavy Atom Count: 14
• Complexity: 246

Purity/Quality:

97% ^*data from raw suppliers

1-(3-CHLOROPHENYL)-1-CYCLOPENTANECARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Chlorophenyl)cyclopentanecarbonitrile

There total 1 articles about 1-(3-Chlorophenyl)cyclopentanecarbonitrile 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: 74.1%

1,4-dibromo-butane (110-52-1) + 3-chloro-benzeneacetonitrile (1529-41-5) → 1-(3-chlorophenyl)cyclopentane-1-nitrile (143328-16-9)

Guidance literature:

3-chloro-benzeneacetonitrile; With sodium hydride; In N,N-dimethyl-formamide; for 0.5h; Cooling with ice;

1,4-dibromo-butane; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

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:

1-(3-chlorophenyl)cyclopentane-1-nitrile (143328-16-9) → 1-(3-chlorophenyl)cyclopentane-1-carboxylic acid chloride (143328-26-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 72.7 percent / KOH / various solvent(s) / 12 h / Heating

2: 51.4 percent / SOCl₂ / benzene / 8 h / Heating

With potassium hydroxide; thionyl chloride; In benzene;

DOI:10.1007/BF00766460

upstream raw materials:

1,4-dibromo-butane

3-chloro-benzeneacetonitrile

Downstream raw materials:

1-(3-chlorophenyl)cyclopentanecarboxylic acid

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

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

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

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