1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone

Base Information

• Chemical Name: 1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone
• CAS No.: 487-49-0
• Molecular Formula: C15H14 O4
• Molecular Weight: 258.274
• Hs Code.: 2914509090
• European Community (EC) Number: 650-984-6
• NSC Number: 89759
• UNII: 4S084Z7YS4
• DSSTox Substance ID: DTXSID50197590
• Nikkaji Number: J270.620B
• Wikipedia: Ononetin
• Wikidata: Q83070416
• ChEMBL ID: CHEMBL241858
• Mol file: 487-49-0.mol

Synonyms:ONONETIN;487-49-0;1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone;2',4'-dihydroxy-2-(4-methoxyphenyl)acetophenone;NSC 89759;NSC89759;Acetophenone, 2',4'-dihydroxy-2-(p-methoxyphenyl)-;MLS000736891;1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethan-1-one;CHEMBL241858;4S084Z7YS4;MFCD00020119;NSC-89759;2,4-dihydroxy-4'-methoxydeoxybenzoin;SR-01000395029;1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)-ethanone;Ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)-;Spectrum_000796;Spectrum2_000808;Spectrum3_001777;Spectrum4_001479;Spectrum5_000157;Oprea1_716474;BSPBio_001797;BSPBio_003273;KBioGR_002057;KBioSS_001276;SPECTRUM212097;UNII-4S084Z7YS4;SPBio_000675;SCHEMBL2948430;KBio2_001276;KBio2_003844;KBio2_006412;KBio3_002774;DTXSID50197590;CHEBI:182312;HMS2270L16;BCP33059;BDBM50295962;CCG-38393;STK856460;AKOS000275879;2,4-dihydroxy-4''-methoxydeoxybenzoin;2,4-Dihydroxy-4/'-methoxydeoxybenzoin;SDCCGMLS-0066960.P001;NCGC00095540-01;NCGC00095540-02;NCGC00095540-03;LS-05750;SMR000528412;2,4-Dihydroxyphenyl 4-Methoxybenzyl Ketone;HY-108451;LS-185348;CS-0028714;D4816;O-135;EN300-37037;A871884;2,4-DIHYDROXYPHENYL 4'-METHOXYBENZYL KETONE;SR-01000395029-1;SR-01000395029-3;BRD-K85385671-001-02-2;1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone.;F0900-1857;1-(2,4-dihydroxy-phenyl)-2-(4-methoxy-phenyl)-ethanone;.ALPHA.-(4-METHOXYPHENYL)-2,4-DIHYDROXYACETOPHENONE

Chemical Property of 1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone

Chemical Property:

• Vapor Pressure: 2.95E-09mmHg at 25°C
• Melting Point: 158.0 to 162.0 °C
• Boiling Point: 464.7°Cat760mmHg
• PKA: 7.65±0.35(Predicted)
• Flash Point: 176.9°C
• PSA: 66.76000
• Density: 1.275g/cm³
• LogP: 2.53180
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 258.08920892
• Heavy Atom Count: 19
• Complexity: 297

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ononetin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O
• Uses: Ononetin is a potent and selective transient receptor potential TRMP3 blocker and may represent a novel concept for analgesic treatment.

Technology Process of 1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone

There total 17 articles about 1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)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: 98.0%

4-Methoxyphenylacetic acid (104-01-8) + recorcinol (108-46-3) → 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone (487-49-0)

Guidance literature:

With boron trifluoride diethyl etherate; at 60 - 70 ℃; for 1.5h;

Reference yield: 92.0%

recorcinol (108-46-3) + 4-methoxyphenyl-acetic chloride (4693-91-8) → 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone (487-49-0)

Guidance literature:

With hydrogen fluoride; at 20 ℃; for 12h; Product distribution / selectivity; autoclave;

Reference yield: 89.0%

4-Methoxyphenylacetic acid (104-01-8) + recorcinol (108-46-3) → 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone (487-49-0) + 1-(2,6-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone

Guidance literature:

With boron trifluoride diethyl etherate; at 85 ℃; for 1.5h;

DOI:10.1080/00397910008087343

upstream raw materials:

7-Hydroxy-3-(4-methoxy-phenyl)-chromen-4-on

4,6-dihydroxy-4'-methoxy-α-oxo-bibenzyl-3-carboxylic acid

p-methoxybenzylnitrile

recorcinol

Downstream raw materials:

1-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethanone

1,2,4-trimethoxy-benzene

2-hydroxy-4'-methoxy-4-(4-nitro-benzoyloxy)-deoxybenzoin

7-acetoxy-3-(4-methoxy-phenyl)-2-methyl-chromen-4-one

Refernces

• 1、 Boonsombat, Jutatip,Thongnest, Sanit,Ruchirawat, Somsak. "A Concise Approach to Oxo-Dehydrorotenoid by Direct Lactonization and the Total Syntheses of Stemonone, Rotenonone, 6-Oxo-dehydroelliptone, and 6-Oxo-6a,12a-dehydrodeguelin". supporting information. p. 2971 - 2983. Retrieved 2019/03/27.
• 2、 Yao, Hong,Xu, Feijie,Wang, Guangyu,Xie, Shaowen,Li, Wenlong,Yao, Hequan,Ma, Cong,Zhu, Zheying,Xu, Jinyi,Xu, Shengtao. "Design, synthesis, and biological evaluation of truncated deguelin derivatives as Hsp90 inhibitors". . p. 485 - 498. Retrieved 2019/02/24.