2-Cyano-3-(dimethylamino)but-2-enamide

Base Information

• Chemical Name: 2-Cyano-3-(dimethylamino)but-2-enamide
• CAS No.: 62321-92-0
• Molecular Formula: C7H11 N3 O
• Molecular Weight: 153.184
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID90393074
• Mol file: 62321-92-0.mol

Synonyms:62321-92-0;2-cyano-3-(dimethylamino)but-2-enamide;2-Butenamide, 2-cyano-3-(dimethylamino)-;MFCD00663777;SCHEMBL1038685;DTXSID90393074;AC7743;AKOS025243440;SY021768;FT-0680005

Chemical Property of 2-Cyano-3-(dimethylamino)but-2-enamide

Chemical Property:

• Vapor Pressure: 8.88E-08mmHg at 25°C
• Melting Point: 194-196°C
• Boiling Point: 435.3°C at 760 mmHg
• Flash Point: 217°C
• PSA: 70.12000
• Density: 1.104g/cm³
• LogP: 0.53118
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 153.090211983
• Heavy Atom Count: 11
• Complexity: 244

Purity/Quality:

98%Min ^*data from raw suppliers

2-Cyano-3-(dimethylamino)-2-butenamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C(C#N)C(=O)N)N(C)C

Technology Process of 2-Cyano-3-(dimethylamino)but-2-enamide

There total 2 articles about 2-Cyano-3-(dimethylamino)but-2-enamide 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:

N,N-dimethylacetamide dimethyl acetal (18871-66-4) + cyanoacetic acid amide (107-91-5) → α-cyano-β-dimethylaminocrotonamide (62321-92-0)

Guidance literature:

In ethanol; for 2.5h; Heating / reflux;

Reference yield:

→ α-cyano-β-dimethylaminocrotonamide (62321-92-0)

Guidance literature:

aus d. N,N-Dimethylacetamiddiethylacetal IV und Cyanoacetamid;

DOI:10.1007/BF00470222

Reference yield: 87.0%

α-cyano-β-dimethylaminocrotonamide (62321-92-0) + benzylamine (100-46-9) → α-Cyano-β-N-benzylaminocrotonamide (87243-45-6)

Guidance literature:

In ethanol; for 2h; Heating;

DOI:10.1007/BF00523081

upstream raw materials:

N,N-dimethylacetamide dimethyl acetal

cyanoacetic acid amide

Downstream raw materials:

α-Cyano-β-aminocrotonamide

α-Cyano-β-aminocrotonamide

α-Cyano-β-aminocrotonamide

α-Cyano-β-N-phenylaminocrotonamide

Refernces

• 1、 -. "CPAP-TUBULIN MODULE". Sheet 9/14. . Retrieved 2017/07/08.
• 2、 -. "Fused tricyclic mGIuR1 antagonists as therapeutic agents". Page/Page column 22; 20. . Retrieved 2010/11/26.