ETHYL 2-BROMO-(4-BROMOPHENYL)ACETATE

Base Information

• Chemical Name: ETHYL 2-BROMO-(4-BROMOPHENYL)ACETATE
• CAS No.: 77143-76-1
• Molecular Formula: C10H10 Br2 O2
• Molecular Weight: 321.996
• Hs Code.: 2916399090
• European Community (EC) Number: 625-947-2
• DSSTox Substance ID: DTXSID40509007
• Mol file: 77143-76-1.mol

Synonyms:Aceticacid, bromo(p-bromophenyl)-, ethyl ester (6CI,7CI); Ethylbromo(4-bromophenyl)acetate

Chemical Property of ETHYL 2-BROMO-(4-BROMOPHENYL)ACETATE

Chemical Property:

• Refractive Index: n20/D 1.5710(lit.)
• Boiling Point: 140 °C5 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 26.30000
• Density: 1.642 g/mL at 25 °C(lit.)
• LogP: 3.44820
• Water Solubility.: Slightly soluble in water.
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 321.90271
• Heavy Atom Count: 14
• Complexity: 189

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-bromo-2-(4-bromophenyl)acetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,N
• Statements: 34-51/53
• Safety Statements: 26-36/37/39-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C1=CC=C(C=C1)Br)Br
• Uses: It is employed as intermediate for pharmaceutical.

Technology Process of ETHYL 2-BROMO-(4-BROMOPHENYL)ACETATE

There total 3 articles about ETHYL 2-BROMO-(4-BROMOPHENYL)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: 98.5%

Ethyl 4-bromophenylacetate (14062-25-0) → ethyl α-bromo-4-bromophenylacetate (77143-76-1)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In chloroform; at 60 ℃; for 1h;

DOI:10.1016/j.ejmech.2020.112734

Reference yield: 85.0%

ethyl α-diazo-α-(4-bromophenyl)acetate (758692-47-6) → ethyl α-bromo-4-bromophenylacetate (77143-76-1)

Guidance literature:

With cobalt(II) bromide hexahydrate; In 1,4-dioxane; at 100 ℃; for 1h; Inert atmosphere;

DOI:10.1002/adsc.202000009

Reference yield:

→ ethyl α-bromo-4-bromophenylacetate (77143-76-1)

Guidance literature:

aus p-Brom-phenylessigsaeure, 1) rot. P, Brom, CHCl3, (Erwaermen), 2) Ethanol, (Erwaermen);

upstream raw materials:

Ethyl 4-bromophenylacetate

ethyl α-diazo-α-(4-bromophenyl)acetate

Downstream raw materials:

(4-Bromo-phenyl)-(4-methoxycarbonylmethyl-phenoxy)-acetic acid ethyl ester

2-{4-[(4-Bromo-phenyl)-ethoxycarbonyl-methoxy]-phenyl}-propionic acid methyl ester

5-(4-bromophenyl)-2-[(S)-1-(4-fluorophenyl)ethylamino]thiazol-4(5H)-one

ethyl 2-azido-2-(4-bromophenyl)acetate

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