Biphenyl-4-yl bromoacetate

Base Information

• Chemical Name: Biphenyl-4-yl bromoacetate
• CAS No.: 55987-39-8
• Molecular Formula: C14H11BrO2
• Molecular Weight: 291.144
• NSC Number: 95733
• DSSTox Substance ID: DTXSID30294293
• Wikidata: Q82033518
• Mol file: 55987-39-8.mol

Synonyms:55987-39-8;biphenyl-4-yl bromoacetate;NSC95733;NCIOpen2_005862;SCHEMBL11522681;DTXSID30294293;NSC-95733

Chemical Property of Biphenyl-4-yl bromoacetate

Chemical Property:

• Vapor Pressure: 2.79E-06mmHg at 25°C
• Boiling Point: 389.7°Cat760mmHg
• Flash Point: 189.5°C
• Density: 1.416g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 289.99424
• Heavy Atom Count: 17
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)CBr

Technology Process of Biphenyl-4-yl bromoacetate

There total 4 articles about Biphenyl-4-yl bromoacetate 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:

chloro-acetic acid biphenyl-4-yl ester (125288-31-5) → bromo-acetic acid biphenyl-4-yl ester (55987-39-8)

Guidance literature:

With bromine; iron; acetic acid; at 100 - 118 ℃;

DOI:10.1021/ja01262a065

Reference yield:

4-Phenylphenol (92-69-3) → bromo-acetic acid biphenyl-4-yl ester (55987-39-8)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; dioxane / 115 °C

2: glacial acetic acid; iron-powder; bromine / 100 - 118 °C

With 1,4-dioxane; pyridine; bromine; iron; acetic acid;

DOI:10.1021/ja01262a065

Reference yield:

chloro-acetic acid biphenyl-4-yl ester (125288-31-5) + bromine (7726-95-6) + acetic acid (64-19-7,77671-22-8) → bromo-acetic acid biphenyl-4-yl ester (55987-39-8)

Guidance literature:

at 115 - 120 ℃;

DOI:10.1021/ja01262a065

upstream raw materials:

chloro-acetic acid biphenyl-4-yl ester

bromine

acetic acid

4-Phenylphenol

Downstream raw materials:

4-acetoxybiphenyl

4-Phenylphenol

3,5-dibromo-4-hydroxybiphenyl

3,5,4'-tribromo-biphenyl-4-ol