Methyl 4-Bromophenylacetate

Base Information

• Chemical Name: Methyl 4-Bromophenylacetate
• CAS No.: 41841-16-1
• Molecular Formula: C9H9BrO2
• Molecular Weight: 229.073
• Hs Code.: 29163990
• European Community (EC) Number: 688-432-1
• NSC Number: 245163
• DSSTox Substance ID: DTXSID80311762
• Nikkaji Number: J472.791F
• Wikidata: Q72488791
• Mol file: 41841-16-1.mol

Synonyms:Methyl 4-Bromophenylacetate;41841-16-1;methyl 2-(4-bromophenyl)acetate;4-Bromophenylacetic acid methyl ester;Methyl (4-bromophenyl)acetate;(4-bromophenyl)acetic acid methyl ester;2-(4-bromophenyl)acetic acid methyl ester;MFCD00126844;(4-bromo-phenyl)-acetic acid methyl ester;4-Bromophenyl acetic acid methyl ester;NSC245163;Methyl 4-bromobenzeneacetate;SCHEMBL502785;methyl2-(4-bromophenyl)acetate;4-Bromophenylaceticacidmethylester;DTXSID80311762;BCP16335;CS-M1488;AB3932;4-Bromobenzeneacetic acid methyl ester;AKOS000295896;AC-1336;BA-0600;NSC 245163;NSC-245163;PB24610;(4-bromophenyl)-acetic acid methylester;4-Bromo-phenyl-acetic acid methyl ester;4-Bromobenzeneacetic acid, methyl ester;(4-Bromo-phenyl)acetic acid methyl ester;(4-bromophenyl)-acetic acid methyl ester;SY021204;AM20040440;FT-0602052;EN300-95566;A825672;J-521839;Z18830099

Chemical Property of Methyl 4-Bromophenylacetate

Chemical Property:

• Appearance/Colour: pale yellow oil
• Vapor Pressure: 0.0076mmHg at 25°C
• Melting Point: 113-114 °C
• Refractive Index: 1.542
• Boiling Point: 268.6 °C at 760 mmHg
• Flash Point: 116.3 °C
• PSA: 26.30000
• Density: 1.445 g/cm³
• LogP: 2.16460
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 227.97859
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-Bromophenylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CC=C(C=C1)Br
• Uses: Methyl 4-Bromophenylacetate (cas# 41841-16-1) is a compound useful in organic synthesis.

Technology Process of Methyl 4-Bromophenylacetate

There total 22 articles about Methyl 4-Bromophenylacetate 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: 100.0%

methanol (67-56-1) + 2-(4-bromophenyl)-acetic acid (1878-68-8) → (4-bromo-phenyl)-acetic acid methyl ester (41841-16-1)

Guidance literature:

With chloro-trimethyl-silane; for 15h; Ambient temperature;

DOI:10.1021/jo00088a056

Reference yield: 99.0%

methyl iodide (74-88-4) + 2-(4-bromophenyl)-acetic acid (1878-68-8) → (4-bromo-phenyl)-acetic acid methyl ester (41841-16-1)

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃;

DOI:10.1002/adsc.201901343

Reference yield: 98.0%

methanol (67-56-1) + 1-bromo-4-(2,2-dibromovinyl)benzene (136350-66-8) → (4-bromo-phenyl)-acetic acid methyl ester (41841-16-1)

Guidance literature:

With triethylsilane; cyclohexa-1,4-diene; oxygen; cobalt acetylacetonate; In nonane; at 24 ℃; under 760.051 Torr; Reagent/catalyst;

DOI:10.1021/acs.joc.6b01709

upstream raw materials:

methanol

para-bromoacetophenone

trimethyl orthoformate

3-methyl-1-p-tolyltriazene

Downstream raw materials:

methyl 4-bromo-α-<2-(phenoxysulfonyl)ethyl>benzeneacetate

2-(4-Bromo-phenyl)-4-phenoxysulfonyl-2-(2-phenoxysulfonyl-ethyl)-butyric acid methyl ester

1,3-bis(4-bromophenyl)propan-2-one

1-bromo-4-(1-bromo-1-methoxycarbonyl)toluene