1-(3-Bromo-2-hydroxyphenyl)ethanone

Base Information

• Chemical Name: 1-(3-Bromo-2-hydroxyphenyl)ethanone
• CAS No.: 1836-05-1
• Molecular Formula: C8H7 Br O2
• Molecular Weight: 215.046
• Hs Code.: 2914700090
• European Community (EC) Number: 816-439-3
• DSSTox Substance ID: DTXSID10449668
• Wikidata: Q82269191
• Mol file: 1836-05-1.mol

Synonyms:1-(3-BROMO-2-HYDROXYPHENYL)ETHANONE;1836-05-1;3'-Bromo-2'-hydroxyacetophenone;1-(3-Bromo-2-hydroxyphenyl)ethan-1-one;Ethanone, 1-(3-bromo-2-hydroxyphenyl)-;MFCD08236725;SCHEMBL1854505;DTXSID10449668;XPYYOCANFXTCKX-UHFFFAOYSA-N;AMY22930;AKOS015999629;AB43855;CS-W003483;FS-3528;SY029325;FT-0724824;A880817;3 inverted exclamation mark -Bromo-2 inverted exclamation mark -hydroxyacetophenone

Chemical Property of 1-(3-Bromo-2-hydroxyphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Melting Point: 33°C
• Refractive Index: 1.592
• Boiling Point: 252.331°C at 760 mmHg
• PKA: 8.63±0.10(Predicted)
• Flash Point: 106.406°C
• PSA: 37.30000
• Density: 1.586g/cm³
• LogP: 2.35730
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 213.96294
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99%, ^*data from raw suppliers

1-(3-Bromo-2-hydroxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Bromo-2-hydroxyphenyl)ethanone

There total 8 articles about 1-(3-Bromo-2-hydroxyphenyl)ethanone 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: 62.0%

o-bromophenyl acetate (1829-37-4) → 3’-bromo-2’-hydroxylacetophenone (1836-05-1)

Guidance literature:

With aluminum (III) chloride; In 1,2-dichloro-benzene; at 140 ℃; for 3h; Reagent/catalyst; Solvent; Temperature; Time;

DOI:10.1055/s-0035-1560325

Reference yield: 61.0%

o-hydroxyacetophenone (118-93-4,104809-67-8) → 3’-bromo-2’-hydroxylacetophenone (1836-05-1) + 5-Bromo-2-hydroxyacetophenone (1450-75-5)

Guidance literature:

With Oxone; ammonium bromide; In methanol; at 20 ℃; for 4.5h; regioselective reaction;

DOI:10.1016/j.tetlet.2011.11.011

Reference yield: 25.0%

o-hydroxyacetophenone (118-93-4,104809-67-8) → 3’-bromo-2’-hydroxylacetophenone (1836-05-1)

Guidance literature:

With N-Bromosuccinimide; diisopropylamine; In carbon disulfide; at 0 - 20 ℃;

upstream raw materials:

o-bromophenyl acetate

o-hydroxyacetophenone

2-hydroxybromobenzene

3'-Amino-2'-hydroxyacetophenone

Downstream raw materials:

2,2'-Dihydroxy-3',3,5-tribrom-chalkon

2'-Hydroxy-2,3',4-tribrom-chalkon

2,2'-Dihydroxy-3'-brom-chalkon

2'-Hydroxy-3',4-dibrom-chalkon

Refernces

• 1、 Lin, Jian,Li, Yitao,Hu, Xiaoyun,Chi, Weilin,Zeng, Shuiming,Xu, Junxing. "Discovery of novel 3-{[(5,5-dimethyl-4,5-dihydroisoxazol-3-yl)sulfonyl]methyl}benzo[d]isoxazole analogs as promising very long chain fatty acids inhibitors". . p. 226 - 240. Retrieved 2020/10/19.
• 2、 Ma, Xiantao,Yu, Jing,Jiang, Mengyuan,Wang, Mengyu,Tang, Lin,Wei, Mengmeng,Zhou, Qiuju. "Mild and Regioselective Bromination of Phenols with TMSBr". supporting information. p. 4593 - 4596. Retrieved 2019/07/05.