1-(2,4-Dihydroxyphenyl)-2-phenoxyethanone

Base Information

• Chemical Name: 1-(2,4-Dihydroxyphenyl)-2-phenoxyethanone
• CAS No.: 73014-19-4
• Molecular Formula: C14H12O4
• Molecular Weight: 244.247
• DSSTox Substance ID: DTXSID80223295
• Nikkaji Number: J270.624E
• Wikidata: Q83101741
• Mol file: 73014-19-4.mol

Synonyms:1-(2,4-Dihydroxyphenyl)-2-phenoxyethanone;73014-19-4;1-(2,4-dihydroxyphenyl)-2-phenoxyethan-1-one;Ethanone, 1-(2,4-dihydroxyphenyl)-2-phenoxy-;BRN 2117924;TimTec1_005018;Oprea1_095628;Oprea1_534598;1-08-00-00689 (Beilstein Handbook Reference);SCHEMBL17119934;DTXSID80223295;HMS1548E02;AKOS001573933;1-(2,4-Dihydroxyphenyl)-2-phenoyethan-1-one;SR-01000394008;SR-01000394008-1

Chemical Property of 1-(2,4-Dihydroxyphenyl)-2-phenoxyethanone

Chemical Property:

• Vapor Pressure: 1.49E-09mmHg at 25°C
• Melting Point: 207 °C
• Boiling Point: 472.6°Cat760mmHg
• Flash Point: 184°C
• PSA: 66.76000
• Density: 1.311g/cm³
• LogP: 2.35950
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 244.07355886
• Heavy Atom Count: 18
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCC(=O)C2=C(C=C(C=C2)O)O

Technology Process of 1-(2,4-Dihydroxyphenyl)-2-phenoxyethanone

There total 6 articles about 1-(2,4-Dihydroxyphenyl)-2-phenoxyethanone 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: 71.0%

2-Phenoxyethansaeure-phenylester (25774-60-1) + recorcinol (108-46-3) → 1-(2,4-dihydroxyphenyl)-2-phenoxyethan-1-one (73014-19-4)

Guidance literature:

With P_. protegens acyltransferase F₁₄₈V; In aq. phosphate buffer; at 30 ℃; for 24h; Temperature;

DOI:10.1021/acscatal.9b04617

Reference yield:

C14H13NO3*ClH → 1-(2,4-dihydroxyphenyl)-2-phenoxyethan-1-one (73014-19-4)

Guidance literature:

With water; at 80 - 100 ℃;

DOI:10.1021/co400142t

Reference yield:

phenoxyacetonitrile (3598-14-9) → 1-(2,4-dihydroxyphenyl)-2-phenoxyethan-1-one (73014-19-4)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / benzene / 1 h / 0 °C

2: water / 80 - 100 °C

With hydrogenchloride; water; In benzene; 1: |Friedel-Crafts Acylation / 1: |Friedel-Crafts Acylation;

DOI:10.1021/co400142t

upstream raw materials:

phenoxyacetonitrile

recorcinol

phenol

2-Phenoxyethansaeure-phenylester

Downstream raw materials:

2-trifluoromethyl-3-phenoxy-7-hydroxychromone

3-phenoxy-7-hydroxychromone

7-Hexyloxy-3-phenoxy-chromen-4-one

7-Pentyloxy-3-phenoxy-chromen-4-one

Refernces

• 1、 Yu, Guanping,Kuo, David,Shoham, Menachem,Viswanathan, Rajesh. "Combinatorial synthesis and in vitro evaluation of a biaryl hydroxyketone library as antivirulence agents against mrsa". supporting information. p. 85 - 91. Retrieved 2014/03/21.