5,5,5-Trifluoro-4-hydroxy-4-phenylpentan-2-one

Base Information

• Chemical Name: 5,5,5-Trifluoro-4-hydroxy-4-phenylpentan-2-one
• CAS No.: 146801-29-8
• Molecular Formula: C11H11 F3 O2
• Molecular Weight: 232.202
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID80386132
• Nikkaji Number: J994.440K
• Mol file: 146801-29-8.mol

Synonyms:5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one;146801-29-8;5,5,5-TRIFLUORO-4-HYDROXY-4-PHENYL-PENTAN-2-ONE;SCHEMBL19390129;DTXSID80386132;VJAXMKZOQDXQPI-UHFFFAOYSA-N;MFCD00760733;AKOS001651030;AKOS022184406;BS-36762;CS-0337186;AB00089724-01;4-Hydroxy-4-phenyl-5,5,5-trifluoro-2-pentanone;5,5,5-Trifluoro-4-hydroxy-4-phenyl-2-pentanone;SR-01000479192;SR-01000479192-1

Chemical Property of 5,5,5-Trifluoro-4-hydroxy-4-phenylpentan-2-one

Chemical Property:

• Vapor Pressure: 0.000404mmHg at 25°C
• Refractive Index: 1.47
• Boiling Point: 303.6°C at 760 mmHg
• Flash Point: 137.4°C
• PSA: 37.30000
• Density: 1.264g/cm³
• LogP: 2.41560
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 232.07111408
• Heavy Atom Count: 16
• Complexity: 256

Purity/Quality:

98%min ^*data from raw suppliers

5,5,5-Trifluoro-4-hydroxy-4-phenylpentan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5,5,5-Trifluoro-4-hydroxy-4-phenylpentan-2-one

There total 8 articles about 5,5,5-Trifluoro-4-hydroxy-4-phenylpentan-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: 99.0%

2,2,2-Trifluoroacetophenone (434-45-7) + acetone (67-64-1) → 5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one (146801-29-8)

Guidance literature:

With L-phenylalanine methylamide; 2,6-difluorobenzoic acid; In chloroform; at 20 ℃; for 36h; Mechanism;

DOI:10.1021/acs.orglett.5b02514

Reference yield: 87.0%

2,2,2-Trifluoroacetophenone (434-45-7) + acetone (67-64-1) → 5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one (146801-29-8) + 1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-diphenylheptan-4-one (1330165-59-7)

Guidance literature:

2,2,2-Trifluoroacetophenone; With N,N`-dimethylethylenediamine; In hexane; at 20 ℃; for 0.166667h; Inert atmosphere;

With diethylzinc; In hexane; at 20 ℃; for 0.166667h; Inert atmosphere;

acetone; In hexane; at 20 ℃; for 20h; Inert atmosphere;

DOI:10.1055/s-0030-1260560

Reference yield: 56.0%

2-isopropylimino-4-phenyl-5,5,5-trifluoropentane-4-ol → 5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one (146801-29-8)

Guidance literature:

With hydrogenchloride; In ethanol; for 1h; Heating;

DOI:10.1016/S0022-1139(01)00500-0

upstream raw materials:

2,2,2-Trifluoroacetophenone

acetone

5,5,5-trifluoro-4-phenylpent-3-en-2-one

(E)-4-trifluoromethyl-4-phenyl-3-buten-2-one

Downstream raw materials:

5,5,5-trifluoro-4-phenylpent-3-en-2-one

2,2,2-Trifluoroacetophenone

acetone

(E)-4-trifluoromethyl-4-phenyl-3-buten-2-one