2-cyano-N-cyclopropylacetamide

Base Information

• Chemical Name: 2-cyano-N-cyclopropylacetamide
• CAS No.: 15029-37-5
• Molecular Formula: C6H8 N2 O
• Molecular Weight: 124.142
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID30366782
• Nikkaji Number: J2.761.814F
• Wikidata: Q82152188
• Mol file: 15029-37-5.mol

Synonyms:2-cyano-N-cyclopropylacetamide;15029-37-5;2-Cyano-N-cyclopropyl-acetamide;Enamine_002956;N-Cyclopropyl-2-cyanoacetamide;SCHEMBL1963069;DTXSID30366782;N-(cyclopropyl)-2-cyanoacetamide;RDHCFMIWCSJGJM-UHFFFAOYSA-N;HMS1402G08;Acetamide, 2-cyano-N-cyclopropyl-;MFCD02176352;STK409100;AKOS000115199;LS-02929;CS-0307501;FT-0679378;EN300-01389;F78730;Z56837079

Chemical Property of 2-cyano-N-cyclopropylacetamide

Chemical Property:

• Vapor Pressure: 1.77E-05mmHg at 25°C
• Boiling Point: 363.7°Cat760mmHg
• PKA: 5.56±0.10(Predicted)
• Flash Point: 173.8°C
• PSA: 52.89000
• Density: 1.14g/cm³
• LogP: 0.56958
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 124.063662883
• Heavy Atom Count: 9
• Complexity: 163

Purity/Quality:

98%Min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1NC(=O)CC#N

Technology Process of 2-cyano-N-cyclopropylacetamide

There total 6 articles about 2-cyano-N-cyclopropylacetamide 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: 100.0%

ethyl 2-cyanoacetate (105-56-6) + Cyclopropylamine (765-30-0) → 2-cyano-N-cyclopropylacetamide (15029-37-5)

Guidance literature:

at 45 ℃; for 1.5h;

Reference yield: 86.0%

Cyclopropylamine (765-30-0) + methyl 2-cyanoacetate (105-34-0) → 2-cyano-N-cyclopropylacetamide (15029-37-5)

Guidance literature:

at 0 - 20 ℃; Neat (no solvent);

DOI:10.1016/j.bmc.2011.10.061

Reference yield:

Cyclopropylamine (765-30-0) + cyanoacetic acid amide (107-91-5) → 2-cyano-N-cyclopropylacetamide (15029-37-5)

Guidance literature:

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

DOI:10.2174/15701808113109990057

upstream raw materials:

ethyl 2-cyanoacetate

Cyclopropylamine

methyl 2-cyanoacetate

cyanoacetic acid amide

Downstream raw materials:

(2E)-2-cyano-2-[(3-fluoro-2-iodophenyl)hydrazono]-N-cyclopropylacetamide

2-amino-N-cyclopropylthiophene-3-carboxamide

2-amino-5-benzoyl-N-cyclopropyl-4-(pyridin-4-yl)-1H-pyrrole-3-carboxamide

3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyano-N-cyclopropylacrylamide

Refernces

• 1、 Yuan, Pengtao,Gu, Xiangyu,Ni, Xintong,Qi, Yingxue,Shao, Xusheng,Xu, Xiaoyong,Liu, Jianwen,Qian, Xuhong. "Non-alkylator anti-glioblastoma agents induced cell cycle G2/M arrest and apoptosis: Design, in silico physicochemical and SAR studies of 2-aminoquinoline-3-carboxamides". supporting information. . Retrieved 2021/09/22.
• 2、 Shaik, Jeelan Basha,Yeggoni, Daniel Pushparaju,Kandrakonda, Yelamanda Rao,Penumala, Mohan,Zinka, Raveendra Babu,Kotapati, Kasi Viswanath,Darla, Mark Manidhar,Ampasala, Dinakara Rao,Subramanyam, Rajagopal,Amooru, Damu Gangaiah. "Synthesis and biological evaluation of flavone-8-acrylamide derivatives as potential multi-target-directed anti Alzheimer agents and investigation of binding mechanism with acetylcholinesterase". . . Retrieved 2019/05/17.