Propiophenone, 2'-hydroxy-5'-methoxy-

Base Information

• Chemical Name: Propiophenone, 2'-hydroxy-5'-methoxy-
• CAS No.: 49710-99-8
• Molecular Formula: C10H12 O3
• Molecular Weight: 180.203
• European Community (EC) Number: 256-440-0
• DSSTox Substance ID: DTXSID00197989
• Nikkaji Number: J320.006J
• Wikidata: Q83070751
• Mol file: 49710-99-8.mol

Synonyms:1-(2-hydroxy-5-methoxyphenyl)propan-1-one;49710-99-8;Propiophenone, 2'-hydroxy-5'-methoxy-;2'-Hydroxy-5'-methoxypropiophenone;2-Hydroxy-5'-methoxypropiophenone;EINECS 256-440-0;BRN 1944126;1-Propanone, 1-(2-hydroxy-5-methoxyphenyl)-;1-(2-Hydroxy-5-methoxyphenyl)-1-propanone;SCHEMBL8665984;DTXSID00197989;MFCD00598386;STK661727;AKOS000299376;LS-125328;CS-0357663

Chemical Property of Propiophenone, 2'-hydroxy-5'-methoxy-

Chemical Property:

• Melting Point: 47–49°C
• Boiling Point: 287.3°Cat760mmHg
• Flash Point: 110.7°C
• PSA: 46.53000
• Density: 1.126g/cm³
• LogP: 1.99350
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

1-(2-Hydroxy-5-methoxyphenyl)-1-propanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=C(C=CC(=C1)OC)O
• Uses: 1-(2-Hydroxy-5-methoxyphenyl)-1-propanone can be used as a new class of transient receptor potential channel TRPA1 and TRPM8 modulators.

Technology Process of Propiophenone, 2'-hydroxy-5'-methoxy-

There total 11 articles about Propiophenone, 2'-hydroxy-5'-methoxy- 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: 74.0%

Propansaeure-(4-methoxyphenyl)ester (13098-94-7) → 1-(2-hydroxy-5-methoxyphenyl)-1-propanone (49710-99-8)

Guidance literature:

With titanium tetrachloride; at 120 ℃; for 1h;

DOI:10.1007/BF00905470

Reference yield: 13.0%

Propansaeure-(4-methoxyphenyl)ester (13098-94-7) + propionyl chloride (79-03-8) → 1-(2-hydroxy-5-methoxyphenyl)-1-propanone (49710-99-8) + Propionic acid 4-methoxy-3-propionyl-phenyl ester (80427-25-4)

Guidance literature:

With tin(IV) chloride; In nitromethane; at 20 ℃; for 48h;

DOI:10.1007/BF00905470

Reference yield:

2',5'-dimethoxypropiophenone (5803-30-5) → 1-(2-hydroxy-5-methoxyphenyl)-1-propanone (49710-99-8)

Guidance literature:

With water; In nitromethane; at 60 ℃; for 1.5h;

DOI:10.1021/jm9004225

upstream raw materials:

2',5'-dihydroxypropiophenone

propionyl chloride

1,4-dimethoxybezene

Propansaeure-(4-methoxyphenyl)ester

Downstream raw materials:

2',5'-dimethoxypropiophenone

Refernces

• 1、 Ortar, Giorgio,Schiano Moriello, Aniello,Morera, Enrico,Nalli, Marianna,Di Marzo, Vincenzo,De Petrocellis, Luciano. "3-Ylidenephthalides as a new class of transient receptor potential channel TRPA1 and TRPM8 modulators". . p. 5614 - 5618. Retrieved 2013/10/01.
• 2、 Martin, Robert. "Studies on the Friedel-Crafts Reaction. XVI, Preparation of Isomeric 2-Acyl- and 3-Acyl-4-methoxy Phenols". . p. 1155 - 1164. Retrieved 2007/10/02.