1-(4-Bromo-2-hydroxyphenyl)ethanone

Base Information

• Chemical Name: 1-(4-Bromo-2-hydroxyphenyl)ethanone
• CAS No.: 30186-18-6
• Molecular Formula: C8H7BrO2
• Molecular Weight: 215.046
• Hs Code.: 29143990
• European Community (EC) Number: 835-464-0
• DSSTox Substance ID: DTXSID80444029
• Nikkaji Number: J1.988.729D
• Wikidata: Q72456780
• Mol file: 30186-18-6.mol

Synonyms:1-(4-bromo-2-hydroxyphenyl)ethanone;30186-18-6;4'-Bromo-2'-hydroxyacetophenone;4-Bromo-2-Hydroxyacetophenone;1-(4-Bromo-2-hydroxyphenyl)ethan-1-one;1-(4-bromo-2-hydroxy-phenyl)ethanone;ETHANONE, 1-(4-BROMO-2-HYDROXYPHENYL)-;2-Acetyl-5-bromophenol;MFCD03428533;1-(4-Bromo-2-hydroxy-phenyl)-ethanone;SCHEMBL55915;DTXSID80444029;LQCMMXGKEGWUIM-UHFFFAOYSA-N;BCP18244;STK820367;AKOS002229507;AB15427;CS-W003081;FS-3132;1-(4-bromo-2-hydroxyphenyl)-1-ethanone;AC-27121;AM803658;SY026364;B5382;FT-0646106;EN300-53247;J-503239;Z57790679;4 inverted exclamation mark -Bromo-2 inverted exclamation mark -hydroxyacetophenone

Chemical Property of 1-(4-Bromo-2-hydroxyphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 40.0 to 44.0 °C
• Refractive Index: 1.592
• Boiling Point: 287.768 °C at 760 mmHg
• PKA: 9.20±0.10(Predicted)
• Flash Point: 127.838 °C
• PSA: 37.30000
• Density: 1.586 g/cm³
• LogP: 2.35730
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.7
• 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%, ^*data from raw suppliers

1-(4-Bromo-2-hydroxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=C(C=C1)Br)O
• Uses: 4'-Bromo-2'-hydroxyacetophenone is used as a pharmaceutical intermediate.

Technology Process of 1-(4-Bromo-2-hydroxyphenyl)ethanone

There total 11 articles about 1-(4-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: 99.0%

3-bromophenyl acetate (35065-86-2) → 4'-bromo-2'-hydroxyacetophenone (30186-18-6)

Guidance literature:

With hydrogenchloride; AlCl₃;

Reference yield: 90.0%

4-(5-fluoro-3-mercaptophenyl)-4-methoxytetrahydropyran (135715-84-3) + 4'-[5-fluoro-3-(4-methoxytetrahydropyran-4-yl)phenylthio]-2'-methoxyacetophenone (161386-22-7) + 3-Bromophenol (591-20-8) + sulfuric acid (7664-93-9) + 1-[4-bromo-2-(methyloxy)phenyl]ethanone (89368-12-7) → 4'-bromo-2'-hydroxyacetophenone (30186-18-6) + 3-bromophenyl acetate (35065-86-2)

Guidance literature:

With acetic anhydride;

Reference yield: 81.0%

3-Bromophenol (591-20-8) + acetic anhydride (108-24-7) → 4'-bromo-2'-hydroxyacetophenone (30186-18-6)

Guidance literature:

3-Bromophenol; acetic anhydride; With pyridine; at 20 ℃;

With aluminum (III) chloride; In ethyl acetate; at 140 ℃; for 2h;

upstream raw materials:

3-bromophenyl acetate

3-methoxyphenyl bromide

acetyl chloride

3-Bromophenol

Downstream raw materials:

7-Bromo-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one

1-(2-(allyloxy)-4-bromophenyl)ethanone

1-(4-bromo-2-hydroxy-phenyl)-4-(4-methoxy-phenyl)-butane-1,3-dione

7-bromo-4-oxo-4H-chromene-2-carboxylic acid