(4Z)-5-Amino-1,1,2,2-tetrafluorohex-4-en-3-one

Base Information

• Chemical Name: (4Z)-5-Amino-1,1,2,2-tetrafluorohex-4-en-3-one
• CAS No.: 72721-34-7
• Molecular Formula: C₆H₇F₄NO
• Molecular Weight: 185.121
• DSSTox Substance ID: DTXSID301023238

Synonyms:DTXSID301023238;72721-34-7;(4Z)-5-Amino-1,1,2,2-tetrafluorohex-4-en-3-one

Chemical Property of (4Z)-5-Amino-1,1,2,2-tetrafluorohex-4-en-3-one

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 185.04637650
• Heavy Atom Count: 12
• Complexity: 212

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of (4Z)-5-Amino-1,1,2,2-tetrafluorohex-4-en-3-one

There total 3 articles about (4Z)-5-Amino-1,1,2,2-tetrafluorohex-4-en-3-one 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: 51.0%

(Z)-5,5,6,6-Tetrafluoro-4-hydroxy-hex-3-en-2-one (75092-41-0) → 5-amino-1,1,2,2-tetrafluoro-4-hexen-3-one (72721-34-7) + acetone (67-64-1) + 2,2,3,3-tetrafluoro-propionic acid; compound with ammonia (1428-27-9)

Guidance literature:

With ammonia; In diethyl ether; benzene; Heating;

DOI:10.1007/BF01430731

Reference yield: 10.0%

1-phenyl-4,4,4-trifluoro-3-amino-2-butene-1-thione (91508-80-4) → 5-amino-1,1,2,2-tetrafluoro-4-hexen-3-one (72721-34-7) + 1,1,1-Trifluor-4-mercapto-4-phenyl-but-3-en-2-on (55674-00-5)

Guidance literature:

With 1,1,2,2-Tetrafluorhexan-3,5-dion; at 40 ℃; for 504h;

Reference yield: 9.2%

1,1,2,2-Tetrafluorhexan-3,5-dion (69737-89-9) → 5-amino-1,1,2,2-tetrafluoro-4-hexen-3-one (72721-34-7) + 1,1,1-Trifluor-4-mercapto-4-phenyl-but-3-en-2-on (55674-00-5)

Guidance literature:

With C₁₀H₈F₃NS; at 40 ℃; for 504h;

upstream raw materials:

1,1,2,2-Tetrafluorhexan-3,5-dion

1-phenyl-4,4,4-trifluoro-3-amino-2-butene-1-thione

(Z)-5,5,6,6-Tetrafluoro-4-hydroxy-hex-3-en-2-one

Downstream raw materials:

1,1,2,2-Tetrafluor-5-phenyl-aminohex-4-en-3-on

Na-2,2,3,3-Tetrafluoropropionate

acetone

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