Methyl alpha-bromo-4-chloro-3-(trifluoromethyl)benzeneacetate

Base Information

• Chemical Name: Methyl alpha-bromo-4-chloro-3-(trifluoromethyl)benzeneacetate
• CAS No.: 66504-63-0
• Molecular Formula: C₁₀H₇BrClF₃O₂
• Molecular Weight: 331.517
• DSSTox Substance ID: DTXSID701195532

Synonyms:66504-63-0;SCHEMBL11078042;DTXSID701195532;Methyl alpha-bromo-4-chloro-3-(trifluoromethyl)benzeneacetate

Chemical Property of Methyl alpha-bromo-4-chloro-3-(trifluoromethyl)benzeneacetate

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 329.92700
• Heavy Atom Count: 17
• Complexity: 285

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C(C1=CC(=C(C=C1)Cl)C(F)(F)F)Br

Technology Process of Methyl alpha-bromo-4-chloro-3-(trifluoromethyl)benzeneacetate

There total 1 articles about Methyl alpha-bromo-4-chloro-3-(trifluoromethyl)benzeneacetate 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: 69.0%

methyl 2-(4-chloro-3-(trifluoromethyl)phenyl)acetate (66504-62-9) → Bromo-(4-chloro-3-trifluoromethyl-phenyl)-acetic acid methyl ester (66504-63-0)

Guidance literature:

With N-Bromosuccinimide; hydrogen bromide; In tetrachloromethane; Heating;

DOI:10.1021/jm00137a002

Reference yield: 66.0%

Bromo-(4-chloro-3-trifluoromethyl-phenyl)-acetic acid methyl ester (66504-63-0) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → (1R,2S)-1-(4-Chloro-3-trifluoromethyl-phenyl)-cyclopropane-1,2-dicarboxylic acid dimethyl ester (66504-64-1)

Guidance literature:

With sodium methylate; In diethyl ether; for 24h; Ambient temperature;

DOI:10.1021/jm00137a002

Reference yield:

Bromo-(4-chloro-3-trifluoromethyl-phenyl)-acetic acid methyl ester (66504-63-0) → (1R,2S)-1-(4-Chloro-3-trifluoromethyl-phenyl)-cyclopropane-1,2-dicarboxylic acid (66504-65-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 66 percent / NaOMe / diethyl ether / 24 h / Ambient temperature

2: 33 percent / KOH / ethanol; H₂O / 6 h / Heating

With potassium hydroxide; sodium methylate; In diethyl ether; ethanol; water;

DOI:10.1021/jm00137a002

upstream raw materials:

methyl 2-(4-chloro-3-(trifluoromethyl)phenyl)acetate

Downstream raw materials:

(1R,2S)-1-(4-Chloro-3-trifluoromethyl-phenyl)-cyclopropane-1,2-dicarboxylic acid dimethyl ester

1-(4-Chloro-α,α,α-trifluoro-m-tolyl)-3-azabicyclo[3.1.0]hexane

1-(4-Chlor-3-trifluormethyl-phenyl)-1,2-cyclopropan-dicarboximid

(1R,2S)-1-(4-Chloro-3-trifluoromethyl-phenyl)-cyclopropane-1,2-dicarboxylic acid

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