1-Phenyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol

Base Information

• Chemical Name: 1-Phenyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol
• CAS No.: 34844-51-4
• Molecular Formula: C11H10F6O2
• Molecular Weight: 288.19
• NSC Number: 162296
• Nikkaji Number: J64.645H
• Mol file: 34844-51-4.mol

Synonyms:1-Phenyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol;34844-51-4;NSC 162296;2,4-BUTANEDIOL, 4-PHENYL-1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)-;NSC162296;SCHEMBL4817914;IOXCYVTZRDCFPD-UHFFFAOYSA-N;C11H10F6O2;C11-H10-F6-O2;NSC-162296;LS-45851;C(O)(CC(O)c1ccccc1)(C(F)(F)F)C(F)(F)F;4-Phenyl-1,1,1-trifluoro-2-trifluoromethyl-2,4-butanediol

Chemical Property of 1-Phenyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol

Chemical Property:

• Vapor Pressure: 0.000177mmHg at 25°C
• Boiling Point: 316.1°Cat760mmHg
• Flash Point: 145°C
• Density: 1.438g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 288.05849853
• Heavy Atom Count: 19
• Complexity: 279

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Phenyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol

There total 3 articles about 1-Phenyl-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol 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: 76.1%

4,4,4-trifluoro-3-hydroxy-3-methyl-1-phenyl-3-trifluoromethylbutan-1-one (731-00-0) → 1-phenyl-4,4,4-trifluoro-3-(trifluoromethyl)butane-l,3-diol (34844-51-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In di-isopropyl ether; at 40 ℃; for 12h; under 7500.75 Torr;

DOI:10.1016/j.jfluchem.2007.03.011

Reference yield: 76.0%

benzaldehyde (100-52-7) + 1,1-bis(trifluoromethyl)-2-bromoethanol (503169-76-4) → 1-phenyl-4,4,4-trifluoro-3-(trifluoromethyl)butane-l,3-diol (34844-51-4)

Guidance literature:

1,1-bis(trifluoromethyl)-2-bromoethanol; With n-butyllithium; In diethyl ether; hexane; at -78 ℃;

benzaldehyde; In diethyl ether; hexane; at -78 - -10 ℃; for 2h;

DOI:10.1016/S0022-1139(02)00154-9

Reference yield:

→ 1-phenyl-4,4,4-trifluoro-3-(trifluoromethyl)butane-l,3-diol (34844-51-4)

Guidance literature:

entspr. Acetophenon, 1) CF3COCF3, 2) Al-Isopropylat;

upstream raw materials:

benzaldehyde

1,1-bis(trifluoromethyl)-2-bromoethanol

4,4,4-trifluoro-3-hydroxy-3-methyl-1-phenyl-3-trifluoromethylbutan-1-one

Downstream raw materials:

4-phenyl-2,2-bis(trifluoromethyl)oxetane