2-cyano-N-cyclopentylacetamide

Base Information

• Chemical Name: 2-cyano-N-cyclopentylacetamide
• CAS No.: 15112-75-1
• Molecular Formula: C8H12 N2 O
• Molecular Weight: 152.196
• Hs Code.: 2926909090
• ChEMBL ID: CHEMBL3334615
• DSSTox Substance ID: DTXSID90408238
• Wikidata: Q82213627
• Mol file: 15112-75-1.mol

Synonyms:2-cyano-N-cyclopentylacetamide;15112-75-1;2-cyano-N-cyclopentyl-acetamide;MFCD01359391;Acetamide, 2-cyano-N-cyclopentyl-;CHEMBL3334615;SCHEMBL15797043;DTXSID90408238;AKOS000202504;PD139244;1,1,2,3,3,3-Hexafluoropropylmethylether;EN300-25997;E85916;J-509224;Z220354976

Chemical Property of 2-cyano-N-cyclopentylacetamide

Chemical Property:

• Vapor Pressure: 9.8E-06mmHg at 25°C
• Melting Point: 87-88.5 °C(Solv: cyclohexane (110-82-7))
• Refractive Index: 1.486
• Boiling Point: 372.2°Cat760mmHg
• PKA: 5.74±0.10(Predicted)
• Flash Point: 178.9°C
• PSA: 56.38000
• Density: 1.07g/cm³
• LogP: 1.79918
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.094963011
• Heavy Atom Count: 11
• Complexity: 186

Purity/Quality:

99.90% ^*data from raw suppliers

2-Cyano-N-cyclopentyl-acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)NC(=O)CC#N

Technology Process of 2-cyano-N-cyclopentylacetamide

There total 5 articles about 2-cyano-N-cyclopentylacetamide 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: 56.0%

Cyclopentamine (1003-03-8) + methyl 2-cyanoacetate (105-34-0) → 2-cyano-N-cyclopentylacetamide (15112-75-1)

Guidance literature:

at 20 ℃;

DOI:10.1021/jm5006918

Reference yield:

Cyclopentamine (1003-03-8) + cyanoacetic acid amide (107-91-5) → 2-cyano-N-cyclopentylacetamide (15112-75-1)

Guidance literature:

With 1-methyl-piperazine; at 20 ℃; for 4h;

DOI:10.2174/15701808113109990057

Reference yield:

ethyl 2-cyanoacetate (105-56-6) + Cyclopentamine (1003-03-8) → 2-cyano-N-cyclopentylacetamide (15112-75-1)

Guidance literature:

In ethanol; Heating;

DOI:10.1021/jm00314a008

upstream raw materials:

ethyl 2-cyanoacetate

Cyclopentamine

cyanoacetic acid amide

methyl 2-cyanoacetate

Downstream raw materials:

2-cyano-N-cyclopentyl-3-(2,4-dimethoxy-6-((E)-4-methoxystyryl)phenyl)acrylamide

C₁₆H₁₈N₂O₂

C₁₆H₁₈N₂O

Refernces

• 1、 Demjén, András,Alf?ldi, Róbert,Angyal, Anikó,Gyuris, Márió,Hackler, László,Szebeni, Gábor J.,W?lfling, János,Puskás, László G.,Kanizsai, Iván. "Synthesis, cytotoxic characterization, and SAR study of imidazo[1,2-b]pyrazole-7-carboxamides". . . Retrieved 2018/07/13.
• 2、 J?st, Christian,Nitsche, Christoph,Scholz, Therese,Roux, Lionel,Klein, Christian D.. "Promiscuity and selectivity in covalent enzyme inhibition: A systematic study of electrophilic fragments". supporting information. p. 7590 - 7599. Retrieved 2014/12/11.