cis-2-Butenoic acid amide

Base Information

• Chemical Name: cis-2-Butenoic acid amide
• CAS No.: 31110-30-2
• Molecular Formula: C4H7 N O
• Molecular Weight: 85.1045
• Mol file: 31110-30-2.mol

Synonyms:31110-30-2;cis-2-Butenoic acid amide;cis-crotonamide;2-Butenamide, (2Z)-;(2Z)-BUT-2-ENAMIDE;(Z)-but-2-enamide;cis 2-Butenoic acid amide;AKOS006222764

Chemical Property of cis-2-Butenoic acid amide

Chemical Property:

• Vapor Pressure: 0.124mmHg at 25°C
• Melting Point: 100-101 °C
• Boiling Point: 218.7°Cat760mmHg
• PKA: 15.78±0.50(Predicted)
• Flash Point: 86°C
• PSA: 44.08000
• Density: 0.956g/cm³
• LogP: 1.19750
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 85.052763847
• Heavy Atom Count: 6
• Complexity: 75.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC(=O)N
• Isomeric SMILES: C/C=C\C(=O)N

Technology Process of cis-2-Butenoic acid amide

There total 7 articles about cis-2-Butenoic acid amide 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: 88.0%

(Z)-N-(4-methoxybenzyl)but-2-enamide → (Z)-but-2-enamide (31110-30-2)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; water; at 22 ℃; for 4h; Inert atmosphere;

DOI:10.1021/jacs.9b02318

Reference yield: 23.0%

→ (Z)-but-2-enamide (31110-30-2) + crotonamide (625-37-6)

Guidance literature:

With ammonia; sodium methylate; In methanol; formamide; at 80 ℃; for 5h; under 1500.15 Torr; Overall yield = 80 %; Inert atmosphere;

Reference yield:

crotonamide (625-37-6) + carbon dioxide (124-38-9,18923-20-1) → (Z)-but-2-enamide (31110-30-2) + lithium 4-amino-3-iodo-2-methyl-4-oxobutanoate

Guidance literature:

With lithium iodide; In [D₃]acetonitrile; at 20 ℃; for 3h; under 750.075 Torr; Photolysis; Sealed tube;

DOI:10.1021/acs.joc.8b02162

upstream raw materials:

(Z)-2-butenenitrile

crotonamide

carbon dioxide

Downstream raw materials:

(Z)-pent-2-enamide

crotonamide