2-Butenenitrile, 3-amino-, (2Z)-

Base Information

• Chemical Name: 2-Butenenitrile, 3-amino-, (2Z)-
• CAS No.: 870-64-4
• Molecular Formula: C4H6N2
• Molecular Weight: 82.105
• European Community (EC) Number: 214-266-2
• DSSTox Substance ID: DTXSID501308703
• Nikkaji Number: J203.342I,J79.989K
• Mol file: 870-64-4.mol

Synonyms:(Z)-3-aminobut-2-enenitrile;3-aminocrotonitrile;β-Aminocrotononitrile;3-amino-crotononitrile;3-AMINOCROTONONITRILE;

Chemical Property of 2-Butenenitrile, 3-amino-, (2Z)-

Chemical Property:

• Boiling Point: 276.3±13.0 °C(Predicted)
• PSA: 49.81000
• Density: 0.965±0.06 g/cm3(Predicted)
• LogP: 1.07278
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 82.053098200
• Heavy Atom Count: 6
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

(2Z)-3-Aminobut-2-enenitrile 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitriles
• Canonical SMILES: CC(=CC#N)N
• Isomeric SMILES: C/C(=C/C#N)/N

Technology Process of 2-Butenenitrile, 3-amino-, (2Z)-

There total 10 articles about 2-Butenenitrile, 3-amino-, (2Z)- 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: 1.34%

2-butynenitrile (13752-78-8) → 2-aminocrotononitrile (870-64-4) + (E)-3-aminocrotononitrile (763-33-7)

Guidance literature:

With ammonia; at 25 ℃; for 0.166667h; Title compound not separated from byproducts; Irradiation;

DOI:10.1002/(SICI)1521-3765(19980615)4:6<1074::AID-CHEM1074>3.0.CO;2-B

Reference yield:

acetonitrile (75-05-8,26809-02-9) → acetamide (60-35-5) + 4-amino-2,6-dimethylpyrimidine (461-98-3) + 2-aminocrotononitrile (870-64-4)

Guidance literature:

at 145 ℃;

Reference yield:

ammonia (7664-41-7) + acetonitrile (75-05-8,26809-02-9) → acetamide (60-35-5) + 4-amino-2,6-dimethylpyrimidine (461-98-3) + 2-aminocrotononitrile (870-64-4)

Guidance literature:

at 132 ℃;

upstream raw materials:

buta-2,3-dienenitrile

2-butynenitrile

(E)-3-aminocrotononitrile

acetonitrile

Downstream raw materials:

5-acetyl-4-(2-methoxy-5-nitro-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3-carbonitrile

4-hydroxy-2-methyl-5-phenylpyrrolyl-3-carbonitrile

Refernces

• 1、 Guillemin, Jean-Claude,Breneman, Curt M.,Joseph, Jeffrey C.,Ferris, James P.. "Regioselectivity of the photochemical addition of ammonia, phosphine, and silane to olefinic and acetylenic nitriles". . p. 1074 - 1082. Retrieved 2007/10/03.