4-Bromophenyl benzoate

Base Information

• Chemical Name: 4-Bromophenyl benzoate
• CAS No.: 1523-17-7
• Molecular Formula: C13H9 Br O2
• Molecular Weight: 277.117
• Hs Code.: 2916310090
• European Community (EC) Number: 659-883-1
• NSC Number: 408919,99839
• DSSTox Substance ID: DTXSID00295136
• Nikkaji Number: J838.911J
• Wikidata: Q82034882
• Mol file: 1523-17-7.mol

Synonyms:4-bromophenyl benzoate;(4-bromophenyl) benzoate;1523-17-7;NSC99839;p-bromophenyl benzoate;(4-bromophenyl)benzoate;Phenol, p-bromo-, benzoate;SCHEMBL6060174;DTXSID00295136;OHWWOZGHMUITKG-UHFFFAOYSA-N;NSC-99839;NSC408919;AKOS003042951;NSC-408919;AK-918/42193190

Chemical Property of 4-Bromophenyl benzoate

Chemical Property:

• Vapor Pressure: 2.39E-05mmHg at 25°C
• Boiling Point: 359.4°Cat760mmHg
• Flash Point: 171.1°C
• PSA: 26.30000
• Density: 1.465g/cm³
• LogP: 3.66830
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 275.97859
• Heavy Atom Count: 16
• Complexity: 228

Purity/Quality:

4-BROMOPHENYL BENZOATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromophenyl benzoate

There total 38 articles about 4-Bromophenyl 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: 99.0%

4-bromo-phenol (106-41-2) + benzoic acid (65-85-0,8013-63-6) → 4-bromophenyl benzoate (1523-17-7)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 8h; Inert atmosphere;

DOI:10.5012/bkcs.2012.33.6.1939

Reference yield: 95.0%

4-bromo-phenol (106-41-2) + benzoyl chloride (98-88-4) → 4-bromophenyl benzoate (1523-17-7)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; 4 A molecular sieve; In dichloromethane; at -78 ℃; for 0.333333h;

DOI:10.1055/s-1999-3521

Reference yield: 95.0%

iodobenzene (591-50-4) + 4-bromo-phenol (106-41-2) + carbon monoxide (201230-82-2) → 4-bromophenyl benzoate (1523-17-7)

Guidance literature:

With dicarbonyl(acetylacotonato)rhodium(I); triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 120 ℃; for 48h; Inert atmosphere; Autoclave; Schlenk technique;

DOI:10.1016/j.mcat.2018.07.021

upstream raw materials:

benzoic acid phenyl ester

4-bromo-phenol

benzoyl chloride

sodium 4-bromophenoxide

Downstream raw materials:

5-bromo-2-hydroxybenzophenone

Benzoic acid 4-((Z)-2-acetylamino-2-carboxy-vinyl)-phenyl ester

sodium benzoate

sodium 4-bromophenoxide