2,3,5-Trifluorobenzyl alcohol

Base Information

• Chemical Name: 2,3,5-Trifluorobenzyl alcohol
• CAS No.: 67640-33-9
• Molecular Formula: C7H5F3O
• Molecular Weight: 162.111
• Hs Code.: 2906299090
• European Community (EC) Number: 671-911-4
• DSSTox Substance ID: DTXSID40380338
• Wikidata: Q72510969
• Mol file: 67640-33-9.mol

Synonyms:(2,3,5-trifluorophenyl)methanol;2,3,5-Trifluorobenzyl alcohol;67640-33-9;Benzenemethanol, 2,3,5-trifluoro-;2,3,5-trifluorbenzyl alcohol;[2,3,5-tris(fluoranyl)phenyl]methanol;SCHEMBL698821;DTXSID40380338;IAYKYKBQMLBYAI-UHFFFAOYSA-N;MFCD00083542;AKOS006229556;JS-4104;SB84215;CS-0315679;FT-0609452;A803141;A835837

Chemical Property of 2,3,5-Trifluorobenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.49mmHg at 25°C
• Melting Point: 172-175?°C(lit.)
• Refractive Index: 1.476
• Boiling Point: 183.7 °C at 760 mmHg
• PKA: 13.27±0.10(Predicted)
• Flash Point: 79.4 °C
• PSA: 20.23000
• Density: 1.398 g/cm³
• LogP: 1.59620
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 162.02924926
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

2,3,5-TrifluorobenzylAlcohol ^*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=C(C=C(C(=C1CO)F)F)F

Technology Process of 2,3,5-Trifluorobenzyl alcohol

There total 3 articles about 2,3,5-Trifluorobenzyl alcohol 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: 91.4%

2,3,5-trifluorobenzoic acid (654-87-5) → 2,3,5-trifluorobenzyl alcohol (67640-33-9)

Guidance literature:

With sodium tetrahydroborate; zinc(II) chloride; In tetrahydrofuran; at 72 ℃;

Reference yield:

2,3,4,5-tetrafluorobenzoic acid (1201-31-6) → 2,3,5-trifluorobenzyl alcohol (67640-33-9)

Guidance literature:

Multi-step reaction with 2 steps

1: zinc; ammonia / 40 h

2: zinc(II) chloride; sodium tetrahydroborate / tetrahydrofuran / 72 °C

With sodium tetrahydroborate; ammonia; zinc(II) chloride; zinc; In tetrahydrofuran;

Reference yield:

→ 2,3,5-trifluorobenzyl alcohol (67640-33-9)

Guidance literature:

Pentafluor-benzoylfluorid, LiAlH4;

upstream raw materials:

2,3,5-trifluorobenzoic acid

2,3,4,5-tetrafluorobenzoic acid

Downstream raw materials:

1-(bromomethyl)-2,3,5-trifluorobenzene

6-methyl-4-(2,3,5-trifluorobenzyl)nicotinic acid

methyl 6-methyl-4-(2,3,5-trifluorobenzyl)nicotinate

methyl 6-methyl-1-phenoxycarbonyl-4-(2,3,5-trifluorobenzyl)-1,4-dihydronicotinate

Refernces

• 1、 Krapcho, A. Paul,Waterhouse, David J.. "General synthetic pathway to oxygenated 3-methylbenz[g]isoquinoline- 5,10-diones". . p. 737 - 750. Retrieved 2007/10/03.