o-Bromophenyl acetate

Base Information

• Chemical Name: o-Bromophenyl acetate
• CAS No.: 1829-37-4
• Molecular Formula: C8H7 Br O2
• Molecular Weight: 215.046
• Hs Code.: 2915390090
• European Community (EC) Number: 217-380-0
• NSC Number: 404082
• UNII: 3857W8NH83
• DSSTox Substance ID: DTXSID70171357
• Nikkaji Number: J105.292F
• Wikidata: Q83041432
• Mol file: 1829-37-4.mol

Synonyms:1829-37-4;2-BROMOPHENYL ACETATE;o-Bromophenyl acetate;2-Bromophenol acetate;1-ACETOXY-2-BROMOBENZENE;(2-bromophenyl) acetate;o-Acetoxybromobenzene;Phenol, o-bromo-, acetate;Phenol, 2-bromo-, acetate;NSC 404082;EINECS 217-380-0;MFCD01861194;3857W8NH83;NSC-404082;AI3-17301;2-bromophenylacetate;2-Bromophenyl acetate #;SCHEMBL874329;Acetic acid 2-bromophenyl ester;UNII-3857W8NH83;Acetic acid, 2-bromophenyl ester;DTXSID70171357;NSC404082;AKOS015841044;SY265515;CS-0315091;FT-0663824;F13222;A812735

Chemical Property of o-Bromophenyl acetate

Chemical Property:

• Vapor Pressure: 0.0176mmHg at 25°C
• Boiling Point: 254.1°C at 760 mmHg
• Flash Point: 107.5°C
• PSA: 26.30000
• Density: 1.501g/cm³
• LogP: 2.37440
• XLogP3: 2.2
• 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

2-BromophenolAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC=C1Br
• Uses: 2-Bromophenol Acetate is an important intermediate/chemical precursor in the fields of agrochemical synthesis, molecular recognition and material science.

Technology Process of o-Bromophenyl acetate

There total 19 articles about o-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: 98.0%

2-hydroxybromobenzene (95-56-7) + acetic anhydride (108-24-7) → o-bromophenyl acetate (1829-37-4)

Guidance literature:

With SiO₂-supported Co(II) Salen complex catalyst; at 50 ℃; for 0.916667h;

DOI:10.1016/j.tetlet.2008.11.024

Reference yield: 98.0%

2-hydroxybromobenzene (95-56-7) + acetyl chloride (75-36-5) → o-bromophenyl acetate (1829-37-4)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1055/s-0035-1560325

Reference yield: 91.0%

2-bromophenyl methyl ketone (2142-69-0) → 2-bromobenzoic acid methyl ester (610-94-6) + o-bromophenyl acetate (1829-37-4)

Guidance literature:

With hydrogenchloride; In chloroform; at 20 ℃; for 12h;

DOI:10.1080/00397910801997835

upstream raw materials:

tetrachloromethane

N-Bromosuccinimide

Phenyl acetate

2-hydroxybromobenzene

Downstream raw materials:

Acetic acid 2-[(4R,5R,6R)-4,5-bis-(tert-butyl-dimethyl-silanyloxy)-6-(tert-butyl-dimethyl-silanyloxymethyl)-5,6-dihydro-4H-pyran-2-yl]-phenyl ester

(4R,5R,6R,4'R,5'R,6'R)-4,5,4',5'-Tetrakis-(tert-butyl-dimethyl-silanyloxy)-6,6'-bis-(tert-butyl-dimethyl-silanyloxymethyl)-5,6,5',6'-tetrahydro-4H,4'H-[2,2']bipyranyl

Phenyl acetate

2-(2-Furyl)phenyl acetate

Refernces

• 1、 Nishioka et al.. "". . p. 2520. Retrieved 1975.
• 2、 -. "Method for promoting acylation of amine or alcohol by carbon dioxide". Paragraph 0034-0035. . Retrieved 2021/05/29.
• 3、 Ohmura, Toshimichi,Kusaka, Satoshi,Torigoe, Takeru,Suginome, Michinori. "Iridium-Catalyzed C(sp3)?H Addition of Methyl Ethers across Intramolecular Carbon–Carbon Double Bonds Giving 2,3-Dihydrobenzofurans". supporting information. p. 4448 - 4453. Retrieved 2019/09/16.