3-Bromo-5-fluorophenylacetonitrile

Base Information

• Chemical Name: 3-Bromo-5-fluorophenylacetonitrile
• CAS No.: 305800-58-2
• Molecular Formula: C8H5BrFN
• Molecular Weight: 214.037
• Hs Code.: 2926909090
• Mol file: 305800-58-2.mol

Synonyms:3-Bromo-5-fluorophenylacetonitrile

Chemical Property of 3-Bromo-5-fluorophenylacetonitrile

Chemical Property:

• Boiling Point: 277.9±25.0 °C(Predicted)
• PSA: 23.79000
• Density: 1.573±0.06 g/cm3(Predicted)
• LogP: 2.65428

Purity/Quality:

99%+ ^*data from raw suppliers

2-(3-Bromo-5-fluorophenyl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Bromo-5-fluorophenylacetonitrile

There total 5 articles about 3-Bromo-5-fluorophenylacetonitrile 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: 58.0%

sodium cyanide (773837-37-9) + 1-bromo-3-(bromomethyl)-5-fluorobenzene (216755-57-6) → 2-[3-bromo-5-fluorophenyl]acetonitrile (305800-58-2)

Guidance literature:

In water; N,N-dimethyl-formamide; at 75 ℃; for 3h; Sealed tube;

Reference yield:

1-bromo-3-(bromomethyl)-5-fluorobenzene (216755-57-6) → 2-[3-bromo-5-fluorophenyl]acetonitrile (305800-58-2)

Guidance literature:

With potassium cyanide; In 1,4-dioxane; ethanol; hexane; water; ethyl acetate;

Reference yield:

3-bromo-5-fluorobenzoic acid (176548-70-2) → 2-[3-bromo-5-fluorophenyl]acetonitrile (305800-58-2)

Guidance literature:

Multi-step reaction with 3 steps

1: borane-THF / tetrahydrofuran / 23.37 h / 0 - 20 °C / Inert atmosphere

2: triphenylphosphine; carbon tetrabromide / dichloromethane / 20 °C

3: water; N,N-dimethyl-formamide / 3 h / 75 °C / Sealed tube

With borane-THF; carbon tetrabromide; triphenylphosphine; In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide;

upstream raw materials:

1-bromo-3-(bromomethyl)-5-fluorobenzene

3-bromo-5-fluorobenzoic acid

5-fluoro-3-hydroxymethylbromobenzene

sodium cyanide

Downstream raw materials:

3-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]-oxazin-6-yl)-5-fluoro-phenylacetonitrile

tert-butyl 4-(3-bromo-5-fluorophenyl)-4-cyanopiperidine-1-carboxylate

(2S,4S)-4-(3-bromo-5-fluorophenyl)-2-methyl-tetrahydro-2H-pyran-4-carbonitrile

(2S,4R)-4-(3-bromo-5-fluorophenyl)-2-methyl-tetrahydro-2H-pyran-4-carbonitrile

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