Cyclopentaneacetonitrile

Base Information

• Chemical Name: Cyclopentaneacetonitrile
• CAS No.: 5732-87-6
• Molecular Formula: C7H11N
• Molecular Weight: 109.171
• Hs Code.: 2926909090
• European Community (EC) Number: 227-241-6
• NSC Number: 81879
• UNII: 793S7E8S2Y
• DSSTox Substance ID: DTXSID20205939
• Nikkaji Number: J218.026J
• Wikidata: Q83079688
• Mol file: 5732-87-6.mol

Synonyms:Cyclopentaneacetonitrile;cyclopentylacetonitrile;5732-87-6;2-cyclopentylacetonitrile;793S7E8S2Y;EINECS 227-241-6;NSC-81879;NSC81879;1-Cyclopentane-Acetonitrile;NCIOpen2_000878;UNII-793S7E8S2Y;SCHEMBL1437260;(CYCLOPENTYL)ACETONITRILE;AMY2023;DTXSID20205939;MFCD00058671;NSC 81879;AKOS005267129;AS-44165;BB 0256818;CS-0060786;FT-0682680;EN300-61209;Z804898574

Chemical Property of Cyclopentaneacetonitrile

Chemical Property:

• Vapor Pressure: 0.289mmHg at 25°C
• Refractive Index: 1.452
• Boiling Point: 202.7 °C at 760 mmHg
• Flash Point: 82.8 °C
• PSA: 23.79000
• Density: 0.912 g/cm³
• LogP: 2.09028
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 109.089149355
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

98% ^*data from raw suppliers

Cyclopentylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)CC#N

Technology Process of Cyclopentaneacetonitrile

There total 20 articles about Cyclopentaneacetonitrile 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: 85.0%

(1E/1Z)-1-cyano-6-iodo-1-hexene → 2-cyclopentylacetonitrile (5732-87-6)

Guidance literature:

With nickel(II) iodide; samarium; diiodomethane; In tetrahydrofuran; tert-butyl alcohol; 1) -78 deg C, 30 min; 2) -78 deg C --> rt;

DOI:10.1021/jo971047e

Reference yield: 80.0%

2-cyclopentylacetamide (933-04-0) → 2-cyclopentylacetonitrile (5732-87-6)

Guidance literature:

at 285 ℃; for 1h; Temperature;

Reference yield: 80.0%

methylenecyclopentane (1528-30-9) + copper(I) cyanide (150464-47-4) → 2-cyclopentylacetonitrile (5732-87-6)

Guidance literature:

With copper diacetate; bis(cyclohexanyl)borane; bis(acetylacetonato)copper(II); In tetrahydrofuran;

DOI:10.1039/c39890000266

upstream raw materials:

chloromethylcyclopentane

cyclopent-1-enyl-acetonitrile

diazoacetonitrile

tricyclopentylborane

Downstream raw materials:

2-cyclopentylacetamide

α-cyclopentyl-3,5-dimethoxy-β-oxobenzenepropanenitrile

N-(2-cyclopentyl-ethyl)-benzamide

cyclopentamine

Refernces

• 1、 Muratov, Karim,Kuchuk, Ekaterina,Vellalath, Sreekumar,Afanasyev, Oleg I.,Moskovets, Alexei P.,Denisov, Gleb,Chusov, Denis. "Formal reductive addition of acetonitrile to aldehydes and ketones". supporting information. p. 7693 - 7701. Retrieved 2018/11/02.
• 2、 Carter, Tom S.,Guiet, Lea,Frank, Dominik J.,West, James,Thomas, Stephen P.. "Iron-catalysed reduction of olefins using a borohydride reagent". supporting information. p. 880 - 884. Retrieved 2013/05/08.