3-Amino-4,4,4-trifluorobutanamide

Base Information

• Chemical Name: 3-Amino-4,4,4-trifluorobutanamide
• CAS No.: 453-32-7
• Molecular Formula: C₄H₇F₃N₂O
• Molecular Weight: 156.108
• Hs Code.: 2924199090
• European Community (EC) Number: 824-242-9
• DSSTox Substance ID: DTXSID60382596
• Mol file: 453-32-7.mol

Synonyms:3-amino-4,4,4-trifluorobutanamide;453-32-7;3-Amino-4,4,4-trifluorobutyramide;3-amino-4,4,4-trifluoro-butanamide;SCHEMBL11196827;DTXSID60382596;FUSSGZXYMBXVGS-UHFFFAOYSA-N;MFCD07368716;AKOS006228824;BS-24966;3-azanyl-4,4,4-tris(fluoranyl)butanamide;CS-0206579;FT-0692059;A826778

Chemical Property of 3-Amino-4,4,4-trifluorobutanamide

Chemical Property:

• Vapor Pressure: 0.108mmHg at 25°C
• Melting Point: 120-121
• Refractive Index: 1.4
• Boiling Point: 221.2°C at 760 mmHg
• Flash Point: 87.6°C
• PSA: 69.11000
• Density: 1.348g/cm³
• LogP: 1.15200
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 156.05104734
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-4,4,4-trifluorobutyramide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(F)(F)F)N)C(=O)N

Technology Process of 3-Amino-4,4,4-trifluorobutanamide

There total 7 articles about 3-Amino-4,4,4-trifluorobutanamide 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:

4,4,4-trifluorobut-2-enoic acid (406-94-0,130130-81-3,71027-02-6) → 3-Amino-4,4,4-trifluorbutyramid (453-32-7)

Guidance literature:

With ammonia; In ethanol; at 100 ℃;

DOI:10.1021/jm00300a018

Reference yield:

ethyl 4,4,4-trifluorocrotonate (25597-16-4) → 3-Amino-4,4,4-trifluorbutyramid (453-32-7)

Guidance literature:

With ammonia; water;

DOI:10.1021/ja01109a058

Reference yield:

3-bromo-4,4,4-trifluoro-butyric acid ethyl ester (372-27-0) → 3-Amino-4,4,4-trifluorbutyramid (453-32-7)

Guidance literature:

With ammonia; water;

DOI:10.1021/ja01109a058

upstream raw materials:

ethyl 4,4,4-trifluorocrotonate

3-bromo-4,4,4-trifluoro-butyric acid ethyl ester

3-(4-bromo-benzenesulfonyloxy)-4,4,4-trifluoro-butyric acid ethyl ester

ethyl 3-amino-4,4,4-trifluoro-2-butenoate

Refernces