1-(3-Bromo-4-hydroxyphenyl)ethanone

Base Information

• Chemical Name: 1-(3-Bromo-4-hydroxyphenyl)ethanone
• CAS No.: 1836-06-2
• Molecular Formula: C8H7 Br O2
• Molecular Weight: 215.046
• Hs Code.: 2914700090
• European Community (EC) Number: 634-047-9
• DSSTox Substance ID: DTXSID20345925
• Nikkaji Number: J105.293D
• Wikidata: Q82118725
• Mol file: 1836-06-2.mol

Synonyms:1-(3-Bromo-4-hydroxyphenyl)ethanone;1836-06-2;3'-BROMO-4'-HYDROXYACETOPHENONE;Acetophenone, 3'-bromo-4'-hydroxy-;Ethanone, 1-(3-bromo-4-hydroxyphenyl)-;3-bromo-4-hydroxyphenyl acetone;MFCD03208974;1-(3-bromo-4-hydroxyphenyl)ethan-1-one;3/'-BROMO-4/'-HYDROXYACETOPHENONE;2-Bromo-4-acetylphenol;SCHEMBL985272;DTXSID20345925;BAA83606;AKOS012205788;1-(3-bromo-4-hydroxy-phenyl)-ethanone;1-(3-Bromo-4-hydroxyphenyl)ethanone #;AS-18975;SY212901;B5158;CS-0042105;EN300-261215;Z1037557930;3 inverted exclamation mark -Bromo-4 inverted exclamation mark -hydroxyacetophenone

Chemical Property of 1-(3-Bromo-4-hydroxyphenyl)ethanone

Chemical Property:

• Melting Point: 111.0 to 115.0 °C
• Boiling Point: 315.9±27.0 °C(Predicted)
• PKA: 6.63±0.18(Predicted)
• PSA: 37.30000
• Density: 1.586±0.06 g/cm3(Predicted)
• LogP: 2.35730
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.2
• 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:

98%Min ^*data from raw suppliers

1-(3-Bromo-4-hydroxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Bromo-4-hydroxyphenyl)ethanone

There total 11 articles about 1-(3-Bromo-4-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: 90.0%

4-Hydroxyacetophenone (99-93-4) → 3-bromo-4-hydroxyacetophenone (1836-06-2)

Guidance literature:

With hydrogen bromide; dihydrogen peroxide; In 1,4-dioxane; water; for 20h; Heating;

DOI:10.1081/SCC-120018701

Reference yield: 86.0%

2-hydroxybromobenzene (95-56-7) + acetyl chloride (75-36-5) → 3-bromo-4-hydroxyacetophenone (1836-06-2)

Guidance literature:

With aluminium trichloride; In carbon disulfide; 1.) RT, 1 h, 2.) reflux, 12 h;

DOI:10.1021/jm00181a008

Reference yield: 80.0%

4-Hydroxyacetophenone (99-93-4) → 3-bromo-4-hydroxyacetophenone (1836-06-2) + 1-(3,5-dibromo-4-hydroxyphenyl)ethan-1-one (2887-72-1)

Guidance literature:

With N-Bromosuccinimide; lithium perchlorate; silica gel; In dichloromethane; at 20 ℃; for 0.0833333h;

DOI:10.1139/v05-001

upstream raw materials:

o-bromophenyl acetate

4-Hydroxyacetophenone

2-hydroxybromobenzene

acetyl chloride

Refernces

• 1、 Karlikova, Martina,Cermakova, Veronika,Demuth, Jiri,Valer, Vojtech,Miletin, Miroslav,Novakova, Veronika,Zimcik, Petr. "Magnesium tetrapyrazinoporphyrazines: Tuning of the pKa of red-fluorescent pH indicators". supporting information. p. 6162 - 6173. Retrieved 2019/05/16.
• 2、 -. "Photocatalytic benzene and benzene derivative direct hydroxylation or amination method". Paragraph 0130-0131. . Retrieved 2017/11/29.