(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one

Base Information

• Chemical Name: (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
• CAS No.: 41463-86-9
• Molecular Formula: C10H7 F3 O2
• Molecular Weight: 216.16
• DSSTox Substance ID: DTXSID201240136
• Nikkaji Number: J2.937.502J,J3.354.819B
• Mol file: 41463-86-9.mol

Synonyms:41463-86-9;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one;4,4,4-TRIFLUORO-3-HYDROXY-1-PHENYL-BUT-2-EN-1-ONE;(2Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one;SCHEMBL7361301;SCHEMBL12900918;SCHEMBL15113893;DTXSID201240136;BBL035702;STL442824;AKOS000271672;1,1,1-Trifluoro-4-hydroxy-4-phenyl-3-buten-2-one;1,1,1-Trifluoro-4-hydroxy-4-phenyl-3-butene-2-one;4,4,4-Trifluoro-3-hydroxy-1-phenyl-2-buten-1-one;3-Buten-2-one, 1,1,1-trifluoro-4-hydroxy-4-phenyl-;(Z)-1-Hydroxy-1-phenyl-4,4,4-trifluoro-1-butene-3-one

Chemical Property of (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one

Chemical Property:

• Boiling Point: 211.71°C (rough estimate)
• PSA: 37.30000
• LogP: 2.87350
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 216.03981395
• Heavy Atom Count: 15
• Complexity: 262

Purity/Quality:

4,4,4-TRIFLUORO-3-HYDROXY-1-PHENYL-BUT-2-EN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=CC(=O)C(F)(F)F)O
• Isomeric SMILES: C1=CC=C(C=C1)/C(=C/C(=O)C(F)(F)F)/O

Technology Process of (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one

There total 1 articles about (Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-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:

ethyl trifluoroacetate, (383-63-1) + acetophenone (98-86-2) → 4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one (41463-86-9)

Guidance literature:

ethyl trifluoroacetate,; acetophenone; With sodium methylate; In diethyl ether; at 20 ℃;

With hydrogenchloride; In diethyl ether; water; pH=3;

DOI:10.1002/adsc.201200757

Reference yield: 95.0%

ethanol (64-17-5) + 4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one (41463-86-9) → phenylglyoxylic acid ethyl ester (1603-79-8)

Guidance literature:

With tert.-butylhydroperoxide; iodine; sodium carbonate; In 1,2-dichloro-ethane; at 60 ℃; for 7h;

DOI:10.1055/s-0036-1588833

Reference yield: 94.0%

pentan-1-ol (71-41-0) + 4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one (41463-86-9) → pentyl 2-oxo-2-phenylacetate (31197-64-5)

Guidance literature:

With tert.-butylhydroperoxide; iodine; sodium carbonate; In 1,2-dichloro-ethane; at 60 ℃; for 7h;

DOI:10.1055/s-0036-1588833

upstream raw materials:

ethyl trifluoroacetate,

acetophenone

Downstream raw materials:

1.1.1-Trifluor-2-hydroxy-2-methoxy-3-benzoyl-propan

4,4,4-trifluoro-1-phenyl-butane-1,3-dione 3-hydrate

(Z)-4,4,4-Trifluoro-3-methylamino-1-phenyl-but-2-en-1-one

(Z)-1,1,1-Trifluoro-4-methylamino-4-phenyl-but-3-en-2-one