2,3,5,6-Tetrafluoro-4-methoxybenzyl bromide

Base Information

• Chemical Name: 2,3,5,6-Tetrafluoro-4-methoxybenzyl bromide
• CAS No.: 4910-40-1
• Molecular Formula: C8H5 Br F4 O
• Molecular Weight: 273.025
• Hs Code.: 2909309090
• European Community (EC) Number: 671-743-1
• DSSTox Substance ID: DTXSID90964162
• Wikidata: Q82946088
• Mol file: 4910-40-1.mol

Synonyms:4910-40-1;2,3,5,6-Tetrafluoro-4-methoxybenzyl bromide;4-methoxytetrafluorobenzyl bromide;1-(bromomethyl)-2,3,5,6-tetrafluoro-4-methoxybenzene;4-Methoxy-2,3,5,6-tetrafluorobenzyl bromide;MFCD00153200;SCHEMBL1007427;DTXSID90964162;SNPXIYPEWUELMV-UHFFFAOYSA-N;AKOS005255022;FT-0618966;2,3,5,6-tetrafluoro-4-methoxy-benzyl bromide

Chemical Property of 2,3,5,6-Tetrafluoro-4-methoxybenzyl bromide

Chemical Property:

• Vapor Pressure: 0.238mmHg at 25°C
• Boiling Point: 213.5°Cat760mmHg
• Flash Point: 101.8°C
• PSA: 9.23000
• Density: 1.708g/cm³
• LogP: 3.14650
• Sensitive.: Lachrymatory
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 271.94599
• Heavy Atom Count: 14
• Complexity: 178

Purity/Quality:

99%, ^*data from raw suppliers

4-MethoxytetrafluorobenzylBromide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C(=C1F)F)CBr)F)F

Technology Process of 2,3,5,6-Tetrafluoro-4-methoxybenzyl bromide

There total 2 articles about 2,3,5,6-Tetrafluoro-4-methoxybenzyl bromide 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:

4-methoxy-2,3,5,6-tetrafluorotoluene (3150-40-1) → 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-methoxybenzene (4910-40-1)

Guidance literature:

With bromine; In tetrachloromethane;

DOI:10.1021/jo01255a011

Reference yield:

2,3,4,5,6-pentafluorotoluene (771-56-2) → 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-methoxybenzene (4910-40-1)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol

2: Br₂ / CCl₄

With bromine; In methanol; tetrachloromethane;

DOI:10.1021/jo01255a011

Reference yield: 98.0%

tert-butyldimethyl(1-phenylvinyloxy)silane (66324-10-5) + 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-methoxybenzene (4910-40-1) → 1-phenyl-3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)propan-1-one

Guidance literature:

tert-butyldimethyl(1-phenylvinyloxy)silane; 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-methoxybenzene; With 2,6-dimethylpyridine; potassium 5-bromo-1H-indole-1-carbodithioate; In acetonitrile; at 25 ℃; for 24h; Schlenk technique; Inert atmosphere; Irradiation;

With trifluoroacetic acid; In chloroform; acetonitrile; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.201915814

upstream raw materials:

4-methoxy-2,3,5,6-tetrafluorotoluene

2,3,4,5,6-pentafluorotoluene

Downstream raw materials:

(4-Methoxy-2.3.5.6-tetrafluor-benzyl)-acetamido-malonsaeure-diethylester

2-amino-3-(4-hydroxy-2,3,5,6-tetrafluorophenyl)propanoic acid

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