2-Cyclohexylacetonitrile

Base Information

• Chemical Name: 2-Cyclohexylacetonitrile
• CAS No.: 4435-14-7
• Molecular Formula: C8H13N
• Molecular Weight: 123.198
• Hs Code.: 2926907090
• European Community (EC) Number: 817-303-6
• DSSTox Substance ID: DTXSID10449481
• Nikkaji Number: J501.732G
• Wikidata: Q82268958
• Mol file: 4435-14-7.mol

Synonyms:2-cyclohexylacetonitrile;4435-14-7;Cyclohexaneacetonitrile;1-CYCLOHEXANEACETONITRILE;cyclohexylacetonitrile;CYCLOHEXYL-ACETONITRILE;1-Cyclohexylacetonitrile;Cyclohexyl acetonitrile;cyclohexane acetonitrile;2-cyclohexyl-acetonitrile;SCHEMBL91247;F9995-2605;DTXSID10449481;MXFPACNADGXIQY-UHFFFAOYSA-N;MFCD00058667;SC5095;AKOS000175432;AB02345;CS-W018366;DS-7961;FT-0754402;EN300-51049;A826553;Z295382924

Chemical Property of 2-Cyclohexylacetonitrile

Chemical Property:

• Vapor Pressure: 0.095mmHg at 25°C
• Refractive Index: 1.45
• Boiling Point: 223.702 °C at 760 mmHg
• Flash Point: 95.205 °C
• Density: 0.897 g/cm³
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 123.104799419
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

99%, ^*data from raw suppliers

2-Cyclohexylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CC#N

Technology Process of 2-Cyclohexylacetonitrile

There total 43 articles about 2-Cyclohexylacetonitrile 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: 98.0%

2-cyclohexylideneacetonitrile (4435-18-1,76293-17-9) → 2-cyclohexylacetonitrile (4435-14-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; under 760 Torr;

DOI:10.1248/cpb.40.2391

Reference yield: 93.0%

C21H22N2O4 (183657-81-0) → 2-cyclohexylacetonitrile (4435-14-7) + biphenyl-4-carboxylic acid (92-92-2)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; Heating;

DOI:10.1016/0040-4039(96)01779-0

Reference yield: 93.0%

sodium cyanide (143-33-9,25596-52-5) + cyclohexylmethyl alcohol (100-49-2) → 2-cyclohexylacetonitrile (4435-14-7)

Guidance literature:

With chloro-trimethyl-silane; sodium iodide; In N,N-dimethyl-formamide; acetonitrile; at 60 - 65 ℃; for 4h;

DOI:10.1021/jo00327a034

upstream raw materials:

2-(cyclohexyl)ethylamide

cyano(cyclohexyl)acetic acid ethyl ester

1-cyclohexenylacetonitrile

2-cyclohexylideneacetonitrile

Downstream raw materials:

4-cyclohexyl-butan-2-one

5-cyclohexylmethyl-tetrazole

2-cyclohexylethylamine

2-cyclohexyl-3-oxo-3-phenylpropionitrile

Refernces

• 1、 -. "MITOCHONDRIA-TARGETING PEPTIDES". Page/Page column 52; 53. . Retrieved 2019/07/19.
• 2、 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.