1-Phenyl-2,2,2-trifluoroethanol

Base Information

• Chemical Name: 1-Phenyl-2,2,2-trifluoroethanol
• CAS No.: 340-05-6
• Deprecated CAS: 340-04-5
• Molecular Formula: C₈H₇F₃O
• Molecular Weight: 176.138
• Hs Code.: 29062990
• European Community (EC) Number: 206-429-1,625-547-8
• NSC Number: 20214
• DSSTox Substance ID: DTXSID50909418
• Nikkaji Number: J227.686K
• ChEMBL ID: CHEMBL320271
• Mol file: 340-05-6.mol

Synonyms:1-phenyl-2,2,2-trifluoroethanol

Chemical Property of 1-Phenyl-2,2,2-trifluoroethanol

Chemical Property:

• Melting Point: 74.3-75.2 °C
• Refractive Index: n20/D 1.462
• Boiling Point: 189.7 °C at 760 mmHg
• PKA: 11.91±0.10(Predicted)
• Flash Point: 84.4 °C
• PSA: 20.23000
• Density: 1.286 g/cm³
• LogP: 2.28230
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 176.04489933
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Phenyl-2,2,2-trifluoroethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Phenyl-2,2,2-trifluoroethanol

There total 98 articles about 1-Phenyl-2,2,2-trifluoroethanol 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%

(trifluoromethyl)trimethylsilane (81290-20-2) + benzaldehyde (100-52-7) → 1-phenyl-2,2,2-trifluoromethylethanol (340-04-5,340-05-6)

Guidance literature:

(trifluoromethyl)trimethylsilane; benzaldehyde; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

With water; In N,N-dimethyl-formamide; for 4h; Acidic conditions;

DOI:10.1016/j.tetlet.2013.06.045

Reference yield: 97.0%

benzaldehyde (100-52-7) + potassium trimethoxy(trifluoromethyl)boranuide → 1-phenyl-2,2,2-trifluoromethylethanol (340-04-5,340-05-6)

Guidance literature:

benzaldehyde; potassium trimethoxy(trifluoromethyl)boranuide; In N,N-dimethyl-formamide; at 50 ℃; for 1h; Inert atmosphere;

With hydrogenchloride; In water; N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.tetlet.2010.11.025

Reference yield: 92.0%

C16H22BF3O → 1-phenyl-2,2,2-trifluoromethylethanol (340-04-5,340-05-6)

Guidance literature:

With sodium hydroxide; In water; Inert atmosphere;

DOI:10.1021/acscatal.5b01671

upstream raw materials:

2,2,2-Trifluoroacetophenone

1-propyl-1,4-dihydronicotinamide

1-Benzyl-1,4-dihydronicotinamide

Cyclopentane

Downstream raw materials:

phthalic acid mono-(2,2,2-trifluoro-1-phenyl-ethyl ester)

1-benzoyloxy-1-phenyl-2,2,2-trifluoroethane

Phosphorochloridic acid 2,2,2-trifluoro-ethyl ester 2,2,2-trifluoro-1-phenyl-ethyl ester

bis(2,2,2-trifluoroethyl) (α-trifluoromethylbenzyl) phosphate

Refernces

• 1、 Hori, Momoko,Ishikawa, Ryuta,Koga, Yuji,Matsubara, Kouki,Mitsuyama, Tomoaki,Shin, Sayaka. "Homoleptic cobalt(II) phenoxyimine complexes for hydrosilylation of aldehydes and ketones without base activation of cobalt(II)". supporting information. p. 1379 - 1387. Retrieved 2021/05/29.
• 2、 Ingleson, Michael J.,Nichol, Gary S.,Uzelac, Marina,Yuan, Kang. "Formation of a hydride containing amido-zincate using pinacolborane". supporting information. p. 14018 - 14026. Retrieved 2021/10/19.