3-(TRIFLUOROMETHOXY)BENZOYLACETONITRILE

Base Information

• Chemical Name: 3-(TRIFLUOROMETHOXY)BENZOYLACETONITRILE
• CAS No.: 677713-02-9
• Molecular Formula: C10H6F3NO2
• Molecular Weight: 229.15500
• Hs Code.: 2926907090
• Mol file: 677713-02-9.mol

Synonyms:PC9066;

Chemical Property of 3-(TRIFLUOROMETHOXY)BENZOYLACETONITRILE

Chemical Property:

• PSA: 50.09000
• LogP: 2.68158

Purity/Quality:

99%+ ^*data from raw suppliers

3-(Trifluoromethoxy)Benzoylacetonitrile 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(TRIFLUOROMETHOXY)BENZOYLACETONITRILE

There total 3 articles about 3-(TRIFLUOROMETHOXY)BENZOYLACETONITRILE 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: 85.0%

3-trifluoromethoxybenzoic acid methyl ester (148438-00-0) + acetonitrile (75-05-8,26809-02-9) → 3-oxo-3-(3-(trifluoromethoxy)phenyl)propanenitrile (677713-02-9)

Guidance literature:

acetonitrile; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1.03333h; Inert atmosphere;

3-trifluoromethoxybenzoic acid methyl ester; In tetrahydrofuran; at -78 - 20 ℃; for 2.5h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c01777

Reference yield:

potassium cyanide + 2-bromo-1-(3-trifluoromethoxy-phenyl)ethanone (237386-01-5) → 3-oxo-3-(3-(trifluoromethoxy)phenyl)propanenitrile (677713-02-9)

Guidance literature:

In ethanol; water; at 20 ℃; for 3h; Cooling with ice;

Reference yield:

→ 3-oxo-3-(3-(trifluoromethoxy)phenyl)propanenitrile (677713-02-9)

Guidance literature:

upstream raw materials:

3-trifluoromethoxybenzoic acid methyl ester

acetonitrile

2-bromo-1-(3-trifluoromethoxy-phenyl)ethanone

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