Methyl 4-(4-Bromophenoxy)benzoate

Base Information

• Chemical Name: Methyl 4-(4-Bromophenoxy)benzoate
• CAS No.: 21120-75-2
• Molecular Formula: C₁₄H₁₁BrO₃
• Molecular Weight: 307.144
• DSSTox Substance ID: DTXSID90570308
• Wikidata: Q82457705
• Mol file: 21120-75-2.mol

Synonyms:Methyl 4-(4-Bromophenoxy)benzoate;21120-75-2;4-(4-Bromo-phenoxy)-benzoic acid methyl ester;methyl-4-(4-bromophenoxy)benzoate;Benzoic acid, 4-(4-bromophenoxy)-, methyl ester;SCHEMBL6132139;DTXSID90570308;MFCD09030697;AKOS002679789;Methyl 4-(4-Bromo-phenoxy)-benzoate;METHYL4-(4-BROMOPHENOXY)BENZOATE;BS-22066;CS-0213086

Chemical Property of Methyl 4-(4-Bromophenoxy)benzoate

Chemical Property:

• Melting Point: 93～95℃
• Storage Temp.: 2-8°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 305.98916
• Heavy Atom Count: 18
• Complexity: 266

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-(4-bromophenoxy)benzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)Br

Technology Process of Methyl 4-(4-Bromophenoxy)benzoate

There total 5 articles about Methyl 4-(4-Bromophenoxy)benzoate 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: 90.0%

methanol (67-56-1) + 4-(4-bromophenoxy)benzoic acid (21120-68-3) → methyl 4-(4-bromophenoxy)benzoate (21120-75-2)

Guidance literature:

With hydrogenchloride; at 65 ℃; for 7h;

DOI:10.1016/j.bmcl.2011.05.075

Reference yield: 33.0%

→ methyl 4-(4-bromophenoxy)benzoate (21120-75-2)

Guidance literature:

With pyridine; copper diacetate; triethylamine; In dichloromethane; at 20 ℃; for 16h; Inert atmosphere; Molecular sieve;

Reference yield:

methyl 4-phenoxybenzoate (21218-94-0) → methyl 4-(4-bromophenoxy)benzoate (21120-75-2)

Guidance literature:

With tetrachloromethane; basic copper carbonate powder; bromine;

DOI:10.1007/BF03345061

upstream raw materials:

methyl 4-phenoxybenzoate

4-methoxycarbonylphenyl bromide

potassium phenolate

methanol

Downstream raw materials:

4-[4-(4-phenoxy-phenoxy)-phenoxy]-benzoic acid methyl ester

methyl <4-(4'-phenylphenoxy)>benzoate

C₂₃H₂₅NO₄

C₂₈H₂₇N₃O₃