Benzoic acid, 4-hydroxy-, (4-bromophenyl)methyl ester

Base Information

• Chemical Name: Benzoic acid, 4-hydroxy-, (4-bromophenyl)methyl ester
• CAS No.: 90577-88-1
• Molecular Formula: C₁₄H₁₁BrO₃
• Molecular Weight: 307.144
• DSSTox Substance ID: DTXSID40368555
• Wikidata: Q82155176

Synonyms:90577-88-1;Benzoic acid, 4-hydroxy-, (4-bromophenyl)methyl ester;DTXSID40368555;AKOS002504863;NCGC00339065-01;AB01330949-02;SR-01000041009;SR-01000041009-1;Z19674828

Chemical Property of Benzoic acid, 4-hydroxy-, (4-bromophenyl)methyl ester

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 305.98916
• Heavy Atom Count: 18
• Complexity: 266

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)O)Br

Technology Process of Benzoic acid, 4-hydroxy-, (4-bromophenyl)methyl ester

There total 2 articles about Benzoic acid, 4-hydroxy-, (4-bromophenyl)methyl ester 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: 70.0%

1-bromomethyl-4-bromobenzene (589-15-1) + 4-hydroxy-benzoic acid (99-96-7) → 4-hydroxy-4'-bromobenzyl benzoate (90577-88-1)

Guidance literature:

With sodium hydrogencarbonate; In N,N-dimethyl-formamide;

DOI:10.1080/15421406.2015.1044639 DOI:10.1080/15421406.2015.1044696

Reference yield:

1-bromomethyl-4-bromobenzene (589-15-1) → 4-hydroxy-4'-bromobenzyl benzoate (90577-88-1)

Guidance literature:

With ethanol;

Reference yield:

C11H11ClO2 + 4-hydroxy-4'-bromobenzyl benzoate (90577-88-1) → C25H21BrO5

Guidance literature:

With pyridine;

DOI:10.1080/15421406.2015.1044696

upstream raw materials:

1-bromomethyl-4-bromobenzene

4-hydroxy-benzoic acid

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