2-cyano-N-isopropylacetamide

Base Information

• Chemical Name: 2-cyano-N-isopropylacetamide
• CAS No.: 52573-74-7
• Molecular Formula: C6H10 N2 O
• Molecular Weight: 126.158
• Hs Code.: 2926909090
• European Community (EC) Number: 853-896-8
• DSSTox Substance ID: DTXSID80352832
• Nikkaji Number: J376.449D
• Wikidata: Q82130219
• Mol file: 52573-74-7.mol

Synonyms:2-cyano-N-isopropylacetamide;52573-74-7;N1-isopropyl-2-cyanoacetamide;2-cyano-N-propan-2-ylacetamide;2-Cyano-N-(1-methylethyl)-acetamide;2-cyano-N-(propan-2-yl)acetamide;2-Cyano-N-isopropyl-acetamide;MFCD00828755;Acetamide, 2-cyano-N-(1-methylethyl)-;N-isopropylcyanoacetamide;N-isopropyl cyanoacetamide;SCHEMBL1896933;DTXSID80352832;LOAHXFVORLJMML-UHFFFAOYSA-N;HMS1784B14;2-cyano-N-(1-methylethyl)acetamide;STK436232;AKOS000115157;FS-5181;BB 0218804;CS-0307503;FT-0679148;EN300-01409;F78950;A918539;Z56838570

Chemical Property of 2-cyano-N-isopropylacetamide

Chemical Property:

• Vapor Pressure: 0.000743mmHg at 25°C
• Melting Point: 62 °C
• Boiling Point: 307°C at 760 mmHg
• Flash Point: 139.5°C
• PSA: 52.89000
• Density: 0.991g/cm³
• LogP: 0.81558
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 126.079312947
• Heavy Atom Count: 9
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

2-Cyano-N-(propan-2-yl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC(=O)CC#N

Technology Process of 2-cyano-N-isopropylacetamide

There total 4 articles about 2-cyano-N-isopropylacetamide 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%

isopropylamine (75-31-0) + ethyl 2-cyanoacetate (105-56-6) → 2-cyano-N-isopropylacetamide (52573-74-7)

Guidance literature:

for 18h;

DOI:10.1016/j.bmc.2006.05.035

Reference yield: 66.0%

5-(Bis-isopropylamino-methylene)-2,2-dimethyl-[1,3]dioxane-4,6-dione (130750-34-4) → 2-cyano-N-isopropylacetamide (52573-74-7)

Guidance literature:

at 600 ℃; under 1E-05 - 0.0001 Torr;

DOI:10.1021/jo00003a014

Reference yield:

isopropylamine (75-31-0) + methyl 2-cyanoacetate (105-34-0) → 2-cyano-N-isopropylacetamide (52573-74-7)

Guidance literature:

for 1h; cooling;

DOI:10.1021/jo070877h

upstream raw materials:

isopropylamine

ethyl 2-cyanoacetate

5-(Bis-isopropylamino-methylene)-2,2-dimethyl-[1,3]dioxane-4,6-dione

methyl 2-cyanoacetate

Downstream raw materials:

1-isopropyl-4-propyl-2,6-dioxo-1,2,3,6-tetrahydropyridine-3-carbonitrile

C₁₃H₁₅N₃OS

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

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