3-Bromophenyl acetate

Base Information

• Chemical Name: 3-Bromophenyl acetate
• CAS No.: 35065-86-2
• Molecular Formula: C8H7 Br O2
• Molecular Weight: 215.046
• Hs Code.: 2915390090
• European Community (EC) Number: 609-058-7
• DSSTox Substance ID: DTXSID80188572
• Nikkaji Number: J270.055G
• ChEMBL ID: CHEMBL456666
• Mol file: 35065-86-2.mol

Synonyms:3-Bromophenyl acetate;35065-86-2;(3-bromophenyl) acetate;3-BROMO-PHENYL ACETATE;Acetic acid 3-bromophenyl ester;Phenol, 3-bromo-, acetate;3-Bromo-PhenylAcetate;MFCD08063242;1-Acetoxy-3-bromobenzene;Phenol, 3-bromo-, 1-acetate;3-bromphenyl acetate;3-Bromophenyl acetate #;SCHEMBL498839;CHEMBL456666;DTXSID80188572;AKOS016003532;AM83209;DS-15873;A6152;CS-0197177;FT-0660662

Chemical Property of 3-Bromophenyl acetate

Chemical Property:

• Vapor Pressure: 0.0168mmHg at 25°C
• Boiling Point: 254.9°Cat760mmHg
• Flash Point: 108°C
• PSA: 26.30000
• Density: 1.501g/cm³
• LogP: 2.37440
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.96294
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-BromophenylAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC(=CC=C1)Br

Technology Process of 3-Bromophenyl acetate

There total 14 articles about 3-Bromophenyl acetate 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%

3-Bromophenol (591-20-8) + acetic anhydride (108-24-7) → 3-bromophenyl acetate (35065-86-2)

Guidance literature:

sulfuric acid;

Reference yield: 99.0%

Isopropenyl acetate (108-22-5) + 3-Bromophenol (591-20-8) → 3-bromophenyl acetate (35065-86-2)

Guidance literature:

With iron(III) trifluoromethanesulfonate; at 20 ℃; for 5h; Schlenk technique;

DOI:10.1039/c8gc00037a

Reference yield: 96.0%

3-Bromophenol (591-20-8) + acetyl chloride (75-36-5) → 3-bromophenyl acetate (35065-86-2)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 19h;

upstream raw materials:

3-Bromophenol

acetic anhydride

Perbenzoic acid

chloroform

Downstream raw materials:

3-Bromophenol

4'-bromo-2'-hydroxyacetophenone

2-bromo-4-hydroxyacetophenone

3-[4-(4-n-tetradecyloxybenzoyloxy)benzoyloxy]-4'-(4''''-formylbenzoyloxy)biphenyl

Refernces

• 1、 Mandal, Tanmoy,Yadav, Sudha,Choudhury, Joyanta. "Steric effect of NHC ligands in Pd(II)–NHC-catalyzed non-directed C–H acetoxylation of simple arenes". . . Retrieved 2021/09/06.
• 2、 -. "INHIBITORS OF HEPATITIS C VIRUS REPLICATION". Paragraph 0888-0889. . Retrieved 2019/05/15.