Ethyl 2-bromo-2-(3,4-dichlorophenyl)acetate

Base Information

• Chemical Name: Ethyl 2-bromo-2-(3,4-dichlorophenyl)acetate
• CAS No.: 41204-08-4
• Molecular Formula: C10H9 Br Cl2 O2
• Molecular Weight: 311.99
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID80507901
• Nikkaji Number: J304.669I
• Mol file: 41204-08-4.mol

Synonyms:41204-08-4;ethyl 2-bromo-2-(3,4-dichlorophenyl)acetate;a-Brmo-3,4-dichlorophenylacetic acid ethyl ester;alpha-Bromo-3,4-Dichlorophenylacetic acid ethyl ester;MFCD04116366;|A-Bromo-3,4- dichlorophenylacetic acid ethyl ester;SCHEMBL9282208;DTXSID80507901;YFJFMJXQSOSNLE-UHFFFAOYSA-N;AKOS027327561;Ethyl bromo(3,4-dichlorophenyl)acetate;SY224329;ethyl alpha-bromo-3,4-dichlorophenylacetate;ethyl2-bromo-2-(3,4-dichlorophenyl)acetate;FT-0639699;A856643

Chemical Property of Ethyl 2-bromo-2-(3,4-dichlorophenyl)acetate

Chemical Property:

• Vapor Pressure: 0.000154mmHg at 25°C
• Refractive Index: 1.568
• Boiling Point: 332℃
• Flash Point: 154℃
• PSA: 26.30000
• Density: 1.587
• LogP: 3.99250
• Storage Temp.: 2-8°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 309.91630
• Heavy Atom Count: 15
• Complexity: 226

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-bromo-2-(3,4-dichlorophenyl)acetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-bromo-2-(3,4-dichlorophenyl)acetate

There total 3 articles about Ethyl 2-bromo-2-(3,4-dichlorophenyl)acetate 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: 80.0%

ethyl 3,4-dichlorophenylacetate (6725-45-7) → ethyl α-bromo-3,4-dichlorophenylacetate (41204-08-4)

Guidance literature:

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

DOI:10.1021/jm00137a002

Reference yield:

3,4-dichlorophenyl acetic acid (5807-30-7) → ethyl α-bromo-3,4-dichlorophenylacetate (41204-08-4)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄ / benzene

2: NBS / CCl₄ / 5 h / Irradiation

With N-Bromosuccinimide; sulfuric acid; In tetrachloromethane; benzene;

Reference yield:

→ ethyl α-bromo-3,4-dichlorophenylacetate (41204-08-4)

Guidance literature:

3,4-Dichlorphenyl-essigsaeure, 1. EtOH, HCl, 2. N-Brom-succinimid-Benzoylperoxid;

upstream raw materials:

ethyl 3,4-dichlorophenylacetate

3,4-dichlorophenyl acetic acid

Downstream raw materials:

(1R,2S)-1-(3,4-Dichloro-phenyl)-cyclopropane-1,2-dicarboxylic acid diethyl ester

1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane

(±)-1-(3,4 dichlorophenyl)-3-azabicyclo[3.1.0]-hexane-2,4-dione

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