2-cyano-N-cyclohexylacetamide

Base Information

• Chemical Name: 2-cyano-N-cyclohexylacetamide
• CAS No.: 15029-38-6
• Molecular Formula: C9H14 N2 O
• Molecular Weight: 166.223
• Hs Code.: 2926909090
• European Community (EC) Number: 683-460-0
• DSSTox Substance ID: DTXSID70351652
• Nikkaji Number: J2.761.812J
• Wikidata: Q82128222
• Mol file: 15029-38-6.mol

Synonyms:2-cyano-N-cyclohexylacetamide;15029-38-6;2-Cyano-N-cyclohexyl-acetamide;2-cyano-~{N}-cyclohexyl-ethanamide;Maybridge1_001352;Oprea1_239820;N-cyclohexyl(cyano-acetamide);SCHEMBL1403047;HMS545F10;DTXSID70351652;MFCD00228093;STK408361;AKOS000115309;LS-02159;BB 0240859;CS-0117414;FT-0679149;EN300-01309;A884170;Z56813508;GT7

Chemical Property of 2-cyano-N-cyclohexylacetamide

Chemical Property:

• Vapor Pressure: 5.19E-06mmHg at 25°C
• Refractive Index: 1.485
• Boiling Point: 381.1°Cat760mmHg
• Flash Point: 184.3°C
• PSA: 52.89000
• Density: 1.05g/cm³
• LogP: 1.73988
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 166.110613074
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

98%Min ^*data from raw suppliers

2-cyano-N-cyclohexylacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NC(=O)CC#N

Technology Process of 2-cyano-N-cyclohexylacetamide

There total 7 articles about 2-cyano-N-cyclohexylacetamide 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: 90.0%

cyclohexylamine (108-91-8,157973-60-9) + ethyl 2-cyanoacetate (105-56-6) → 2-cyano-N-cyclohexylacetamide (15029-38-6)

Guidance literature:

With sodium ethanolate; In ethanol; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2010.12.062

Reference yield: 72.0%

cyclohexylamine (108-91-8,157973-60-9) + 1-cyanoacetyl-3,5-dimethylpyrazole (36140-83-7) → 2-cyano-N-cyclohexylacetamide (15029-38-6)

Guidance literature:

In toluene; for 0.0833333h; Reflux;

DOI:10.1016/j.ejmech.2017.06.015

Reference yield: 68.0%

cyclohexylamine (108-91-8,157973-60-9) + cyanoacetic acid (372-09-8) → 2-cyano-N-cyclohexylacetamide (15029-38-6)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In DCM; at 18 - 25 ℃; for 24h;

upstream raw materials:

cyclohexylamine

ethyl 2-cyanoacetate

methyl 2-cyanoacetate

cyanoacetic acid

Downstream raw materials:

AG 675

3-cyclohexyl-5-methyl-4-oxo-3,4-dihydro-thieno[3,4-d][1,2,3]triazine-7-carboxylic acid ethyl ester

3-amino-4-cyclohexylcarbamoyl-5-methyl-thiophene-2-carboxylic acid ethyl ester

2-cyano-N-cyclohexyl-3-ethoxy-prop-2-enamide

Refernces

• 1、 Karteek, S. Durga,Reddy, A. Gopi,Tej, M. Bhuvan,Rao, M. V. Basaveswara. "Synthesis and Docking Study of Novel Pyranocoumarin Derivatives". . p. 272 - 282. Retrieved 2021/04/02.
• 2、 Dong, Ze,Wang, Zhen,Guo, Zhong-Qiang,Gong, Shouzhe,Zhang, Tao,Liu, Jiang,Luo, Cheng,Jiang, Hualiang,Yang, Cai-Guang. "Structure-activity relationship of spop inhibitors against kidney cancer". . p. 4849 - 4866. Retrieved 2020/06/08.