2,4'-Dihydroxyacetophenone

Base Information

• Chemical Name: 2,4'-Dihydroxyacetophenone
• CAS No.: 5706-85-4
• Molecular Formula: C8H8O3
• Molecular Weight: 152.15
• Hs Code.: 2914790090
• DSSTox Substance ID: DTXSID20331469
• Nikkaji Number: J81.083E
• Wikidata: Q27104293
• Metabolomics Workbench ID: 43963
• ChEMBL ID: CHEMBL1908015
• Mol file: 5706-85-4.mol

Synonyms:2-hydroxy-1-(4-hydroxyphenyl)ethanone;2,4'-Dihydroxyacetophenone;5706-85-4;4-Hydroxyphenacyl alcohol;2-hydroxy-1-(4-hydroxyphenyl)ethan-1-one;2-HYDROXY-1-(4-HYDROXY-PHENYL)-ETHANONE;CHEBI:35164;4-Hydroxyacetylphenol;p-Hydroxybenzoylcarbinol;p-hydroxyphenacyl alcohol;SCHEMBL26358;CHEMBL1908015;DTXSID20331469;Hydroxymethyl p-hydroxyphenyl ketone;AKOS006271758;CS-0365258;FT-0698617;2-Hydroxy-1-(4-hydroxyphenyl)ethanone, 9CI;D87702;A852165;Q27104293

Chemical Property of 2,4'-Dihydroxyacetophenone

Chemical Property:

• Melting Point: 177–178°C
• Boiling Point: 358.8°Cat760mmHg
• Flash Point: 185°C
• PSA: 57.53000
• Density: 1.301g/cm³
• LogP: 0.56720
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.047344113
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

97% ^*data from raw suppliers

2-HYDROXY-1-(4-HYDROXY-PHENYL)-ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CO)O

Technology Process of 2,4'-Dihydroxyacetophenone

There total 31 articles about 2,4'-Dihydroxyacetophenone 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: 89.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 2-hydroxy-1-(4-hydroxyphenyl)ethan-1-one (5706-85-4)

Guidance literature:

With potassium phosphate buffer; thiamine diphosphate; magnesium sulfate; benzaldehyde lyase from Pseudomonas fluorescens; In dimethyl sulfoxide; at 37 ℃; for 96h; pH=7.0; Enzymatic reaction;

DOI:10.1016/j.tet.2004.06.015

Reference yield: 68.0%

ω-Phenoxy-p-hydroxy-acetophenon (41978-29-4) → 2-hydroxy-1-(4-hydroxyphenyl)ethan-1-one (5706-85-4) + phenol (108-95-2,27073-41-2)

Guidance literature:

With 1,10-Phenanthroline; oxygen; copper diacetate; In methanol; at 80 ℃; for 3h; under 3000.3 Torr;

DOI:10.1021/acscatal.6b02049

Reference yield: 67.0%

α,α-dimethyl-p-hydroxyphenacyl acetate (20816-46-0) → 2-hydroxy-1-(4-hydroxyphenyl)ethan-1-one (5706-85-4)

Guidance literature:

With sodium hydroxide; In methanol; for 0.25h; Ambient temperature;

DOI:10.1021/ja984187u

upstream raw materials:

(S)-2-((S)-2-Amino-propionylamino)-propionic acid 2-(4-hydroxy-phenyl)-2-oxo-ethyl ester

α,α-dimethyl-p-hydroxyphenacyl acetate

formaldehyd

4-hydroxy-benzaldehyde

Downstream raw materials:

7-hydroxyflavone

1,4-diphenyl-1,3-butadiyne

di-cyclohex-1-enyl-butadiyne