3-Amino-4,4,4-trifluoro-2-butenenitrile

Base Information

• Chemical Name: 3-Amino-4,4,4-trifluoro-2-butenenitrile
• CAS No.: 33561-24-9
• Molecular Formula: C4H3F3N2
• Molecular Weight: 136.076
• Hs Code.: 2926909090
• Mol file: 33561-24-9.mol

Synonyms:3-amino-4,4,4-trifluorobut-2-enonitrile;3-aminobut-2-enenitrile;3-AMINO-4,4,4-TRIFLUORO-2-BUTENENITRILE;

Chemical Property of 3-Amino-4,4,4-trifluoro-2-butenenitrile

Chemical Property:

• Boiling Point: 286.888 °C at 760 mmHg
• PKA: -0.67±0.70(Predicted)
• Flash Point: 127.306 °C
• PSA: 49.81000
• Density: 1.342 g/cm³
• LogP: 1.61518

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Amino-4,4,4-trifluoro-2-butenenitrile

There total 2 articles about 3-Amino-4,4,4-trifluoro-2-butenenitrile 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:

3-cyano-1,1,1-trifluoroacetone (110234-68-9) → 3-amino-4,4,4-trifluoro-2-butenenitrile (33561-24-9)

Guidance literature:

With ammonium formate; acetic acid; In toluene; for 18h; Reflux; Dean-Stark;

DOI:10.1021/acs.jmedchem.8b01318

Reference yield:

→ 3-amino-4,4,4-trifluoro-2-butenenitrile (33561-24-9)

Guidance literature:

2-Amino-1,1,1,4,4,4-hexafluor-2-buten;

Reference yield: 90.0%

3-amino-4,4,4-trifluoro-2-butenenitrile (33561-24-9) + o-tolylhydrazine hydrochloride (635-26-7) → 1-(2-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-amine (1210047-35-0)

Guidance literature:

3-amino-4,4,4-trifluoro-2-butenenitrile; o-tolylhydrazine hydrochloride; With hydrogenchloride; In water; Reflux;

With sodium hydroxide; In water;

upstream raw materials:

3-cyano-1,1,1-trifluoroacetone

Downstream raw materials:

1-(2-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-amine

4-(4-Cyano-2-methoxyphenyl)-6-methyl-5-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,4-di-hydropyridine-3-carbonitrile

4-(4-Cyano-2-methoxyphenyl)-6-(methoxymethyl)-5-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,4-dihydropyridine-3-carbonitrile

4-(4-Cyano-2-methoxyphenyl)-6-ethyl-5-(4-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,4-dihydro-pyridine-3-carbonitrile

Refernces