1-Bromo-3-(1,1-difluoro-ethyl)-benzene

Base Information

• Chemical Name: 1-Bromo-3-(1,1-difluoro-ethyl)-benzene
• CAS No.: 445303-70-8
• Molecular Formula: C₈H₇BrF₂
• Molecular Weight: 221.044
• Hs Code.: 2903999090
• Mol file: 445303-70-8.mol

Synonyms:1-Bromo-3-(1,1-difluoro-ethyl)-benzene ;1-Bromo-3-(1,1-difluoroethyl)benzene 95%

Chemical Property of 1-Bromo-3-(1,1-difluoro-ethyl)-benzene

Chemical Property:

• Refractive Index: n20/D1.504
• Boiling Point: 195.7±30.0 °C(Predicted)
• Flash Point: 87℃
• PSA: 0.00000
• Density: 1.500 g/L at 25 °C
• LogP: 3.56080
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

1-Bromo-3-(1,1-difluoroethyl)benzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,N
• Statements: 36/37/38-51/53
• Safety Statements: 26-61

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-Bromo-3-(1,1-difluoro-ethyl)-benzene

There total 2 articles about 1-Bromo-3-(1,1-difluoro-ethyl)-benzene 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: 74.0%

1-(3-Bromophenyl)ethanone (2142-63-4) → 1-Bromo-3-(1,1-difluoro-ethyl)-benzene (445303-70-8)

Guidance literature:

With sulfur tetrafluoride; hydrogen fluoride; at 20 ℃; for 16h; Autoclave;

DOI:10.1021/acs.joc.1c01518

Reference yield:

→ 1-Bromo-3-(1,1-difluoro-ethyl)-benzene (445303-70-8)

Guidance literature:

Reference yield: 82.0%

1-Bromo-3-(1,1-difluoro-ethyl)-benzene (445303-70-8) + carbon dioxide (124-38-9,18923-20-1) → 3-(1,1-difluoroethyl)benzoic acid (55805-17-9)

Guidance literature:

1-Bromo-3-(1,1-difluoro-ethyl)-benzene; With n-butyllithium; In tetrahydrofuran; hexane; at -80 ℃; for 1h; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; hexane; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.joc.1c01518

upstream raw materials:

1-(3-Bromophenyl)ethanone

Downstream raw materials:

2-(3-(1,1-difluoroethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

3-(1,1-difluoroethyl)benzoic acid

SiO₂

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