2-Bromo-2'-hydroxyacetophenone

Base Information

• Chemical Name: 2-Bromo-2'-hydroxyacetophenone
• CAS No.: 2491-36-3
• Molecular Formula: C8H7BrO2
• Molecular Weight: 215.046
• Hs Code.: 29147000
• European Community (EC) Number: 626-439-3
• DSSTox Substance ID: DTXSID90179618
• Nikkaji Number: J1.630.673H
• Wikidata: Q83050145
• Mol file: 2491-36-3.mol

Synonyms:2-Bromo-2'-hydroxyacetophenone;2491-36-3;2-Bromo-1-(2-hydroxyphenyl)ethanone;2-Hydroxyphenacyl bromide;Ethanone, 2-bromo-1-(2-hydroxyphenyl)-;BRN 0637210;2-bromo-1-(2-hydroxy-phenyl)-ethanone;4-08-00-00329 (Beilstein Handbook Reference);Acetophenone, 2-bromo-2'-hydroxy- (6CI,7CI,8CI);2-bromo-1-(2-hydroxyphenyl)ethan-1-one;Ethanone,2-bromo-1-(2-hydroxyphenyl)-;Phenolphthaleindiphosphate;SCHEMBL1701142;2-Bromo-2'-hydroxylacetophenone;2-Bromo-2''-hydroxyacetophenone;DTXSID90179618;alpha-Bromo-2'-hydroxyacetophenone;Acetophenone, 2-bromo-2'-hydroxy-;MFCD01727570;AKOS008969343;2-Bromo-2'-hydroxyacetophenone, 97%;DS-5052;LS-67221;AM20040011;FT-0652594;EN300-49229;F20960;A817545;J-015725

Chemical Property of 2-Bromo-2'-hydroxyacetophenone

Chemical Property:

• Appearance/Colour: off-white powder
• Melting Point: 44-48 °C(lit.)
• Boiling Point: 272.1 °C at 760 mmHg
• PKA: 7.63±0.30(Predicted)
• Flash Point: 118.347 °C
• PSA: 37.30000
• Density: 1.622 g/cm³
• LogP: 1.96980
• Storage Temp.: Keep Cold
• Sensitive.: Lachrymatory
• Solubility.: Chloroform, Methanol
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• 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-Bromo-2’-hydroxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Bromo-2'-hydroxyacetophenone

There total 9 articles about 2-Bromo-2'-hydroxyacetophenone 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%

o-hydroxyacetophenone (118-93-4,104809-67-8) → 2-(2-bromoacetyl)hydroxybenzene (2491-36-3)

Guidance literature:

With copper(ll) bromide; In chloroform; Reflux;

DOI:10.1016/j.tetlet.2008.11.104

Reference yield: 70.0%

o-(Bromoacetyl)phenyl acetate (40231-08-1) → 2-(2-bromoacetyl)hydroxybenzene (2491-36-3)

Guidance literature:

With hydrogenchloride; In water; for 4h; Reflux;

DOI:10.2174/1570178613666161017111615

Reference yield: 65.0%

→ 2-(2-bromoacetyl)hydroxybenzene (2491-36-3)

Guidance literature:

upstream raw materials:

o-hydroxyacetophenone

methoxybenzene

2-Bromoacetyl bromide

phenyl 2-bromoacetate

Downstream raw materials:

2-hydroxy-α-(1-imidazolyl)-acetophenone

2-(4-chlorophenylthio)-2'-hydroxyacetophenone

α,α-dibromo-o-hydroxyacetophenone

1-(2-Hydroxyphenyl)-2-(phenylthio)ethanone

Refernces

• 1、 King et al.. "-". . p. 3459. Retrieved 1964.
• 2、 Chang, Meng-Yang,Chen, Kuan-Ting. "MeONH 2·hCl-Mediated α-Methylenation/Conjugate Addition of α-Sulfonylo-Hydroxyacetophenones with Methyl Sulfoxides: Route to 3-Sulfonylchroman-4-ones". . p. 135 - 145. Retrieved 2020/09/07.
• 3、 Singh, Arshjyoti,Bali, Alka,Kumari, Pooja. "One pot synthesis and pharmacological evaluation of aryl substituted imidazoles as potential atypical antipsychotics". . p. 338 - 354. Retrieved 2021/06/17.