(4-Bromo-2,3,5,6-tetrafluorophenyl)methanol

Base Information

• Chemical Name: (4-Bromo-2,3,5,6-tetrafluorophenyl)methanol
• CAS No.: 75865-45-1
• Molecular Formula: C7H3BrF4O
• Molecular Weight: 258.998
• Hs Code.: 2906299090
• European Community (EC) Number: 959-670-6
• DSSTox Substance ID: DTXSID40546336
• Nikkaji Number: J2.572.039C
• Wikidata: Q82424153
• Mol file: 75865-45-1.mol

Synonyms:75865-45-1;(4-bromo-2,3,5,6-tetrafluorophenyl)methanol;4-Bromo-2,3,5,6-tetrafluorobenzylalcohol;4-BROMO-2,3,5,6-TETRAFLUOROBENZYL ALCOHOL;Benzenemethanol,4-bromo-2,3,5,6-tetrafluoro-;MFCD09037807;SCHEMBL6439708;DTXSID40546336;CANKYTKGBSRIPN-UHFFFAOYSA-N;AKOS005254276;SY161393;CS-0236947;EN300-175476;G53771;A838532;[4-bromanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]methanol;Z1269194051

Chemical Property of (4-Bromo-2,3,5,6-tetrafluorophenyl)methanol

Chemical Property:

• Vapor Pressure: 0.0349mmHg at 25°C
• Refractive Index: 1.504
• Boiling Point: 231.4 °C at 760 mmHg
• Flash Point: 93.7 °C
• PSA: 20.23000
• Density: 1.9 g/cm³
• LogP: 2.49780
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 257.93034
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

97% ^*data from raw suppliers

4-BROMO-2,3,5,6-TETRAFLUOROBENZYLALCOHOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1=C(C(=C(C(=C1F)F)Br)F)F)O

Technology Process of (4-Bromo-2,3,5,6-tetrafluorophenyl)methanol

There total 3 articles about (4-Bromo-2,3,5,6-tetrafluorophenyl)methanol 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: 77.0%

formyl-2,3,5,6-tetrafluoro-1-bromobenzene (108574-98-7) → (4-bromo-2,3,5,6-tetrafluorophenyl)methanol (75865-45-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 4h;

DOI:10.1055/s-2007-1000862

Reference yield:

perfluorobenzaldehyde (653-37-2) → (4-bromo-2,3,5,6-tetrafluorophenyl)methanol (75865-45-1)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium bromide / 1-methyl-pyrrolidin-2-one / 3.5 h / 165 °C / Inert atmosphere; Schlenk technique

2: sodium tetrahydroborate / methanol / 4.5 h / 0 - 20 °C / Inert atmosphere

With sodium tetrahydroborate; lithium bromide; In 1-methyl-pyrrolidin-2-one; methanol;

DOI:10.1039/d0dt03047c

Reference yield:

→ (4-bromo-2,3,5,6-tetrafluorophenyl)methanol (75865-45-1)

Guidance literature:

upstream raw materials:

formyl-2,3,5,6-tetrafluoro-1-bromobenzene

perfluorobenzaldehyde

Downstream raw materials:

(4-bromo-2,3,5,6-tetrafluorobenzyloxy)-tert-butyldimethylsilane