Benzophenone, 2'-hydroxy-5'-methoxy-

Base Information

• Chemical Name: Benzophenone, 2'-hydroxy-5'-methoxy-
• CAS No.: 14770-96-8
• Molecular Formula: C14H12 O3
• Molecular Weight: 228.247
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID20163787
• Nikkaji Number: J41.999K
• Wikidata: Q83032777
• Mol file: 14770-96-8.mol

Synonyms:2-benzoyl-4-methoxyphenol;14770-96-8;BENZOPHENONE, 2'-HYDROXY-5'-METHOXY-;2'-Hydroxy-5'-methoxybenzophenone;(2-hydroxy-5-methoxyphenyl)-phenylmethanone;BRN 1879505;2-hydroxy-5-methoxybenzophenone;(2-Hydroxy-5-methoxyphenyl)(phenyl)methanone;Methanone, (2-hydroxy-5-methoxyphenyl)phenyl-;3-08-00-02644 (Beilstein Handbook Reference);SCHEMBL3902536;DTXSID20163787;AKOS022656495;BS-45626;LS-38930;CS-0198936;FT-0723615;EN300-55029;(2-hydroxy-5-methoxy-phenyl)-phenyl-methanone;E74736;(2-Hydroxy-5-methoxyphenyl)(phenyl)methanone #;AP-065/41884147;Z821061370

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

Chemical Property:

• Vapor Pressure: 3.77E-06mmHg at 25°C
• Melting Point: 84–85°C5
• Boiling Point: 374.8°C at 760 mmHg
• Flash Point: 142.6°C
• PSA: 46.53000
• Density: 1.201g/cm³
• LogP: 2.63180
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 228.078644241
• Heavy Atom Count: 17
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

2-benzoyl-4-methoxyphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)O)C(=O)C2=CC=CC=C2

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

There total 26 articles about Benzophenone, 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: 90.0%

benzoyl chloride (98-88-4) + 4-methoxy-phenol (150-76-5) → oxybenzone (14770-96-8)

Guidance literature:

With 1-carboxymethyl-3-methylimidazolium tetrachloroferrate; In neat (no solvent); at 100 ℃; for 1h; regioselective reaction; Green chemistry;

DOI:10.1002/cplu.201700221

Reference yield: 90.0%

2,5-dimethoxybenzophenone (4038-13-5) → oxybenzone (14770-96-8)

Guidance literature:

With aluminium trichloride; In benzene; at 80 ℃; for 12h;

DOI:10.1021/jo00109a045

Reference yield: 82.0%

5-methoxy-3-phenylbenzofuran-2(3H)-one (103702-18-7) → oxybenzone (14770-96-8)

Guidance literature:

With tert.-butylhydroperoxide; sodium carbonate; nickel dichloride; In toluene; at 80 ℃; for 12h; Schlenk technique;

DOI:10.1021/acs.joc.0c00858

upstream raw materials:

2,5-dimethoxybenzophenone

benzoyl chloride

1,4-dimethoxybezene

4-methoxyphenyl benzoate

Downstream raw materials:

2,5-dihydroxybenzophenone

2,5-dimethoxybenzophenone

[2-(Cyclohex-2-enyloxy)-5-methoxy-phenyl]-phenyl-methanone

2-(hydroxy(phenyl)methyl)-4-methoxyphenol

Refernces

• 1、 Siano, Gastón,Crespi, Stefano,Bonesi, Sergio M.. "Substituent and Surfactant Effects on the Photochemical Reaction of Some Aryl Benzoates in Micellar Green Environment?". . p. 1298 - 1309. Retrieved 2021/05/07.
• 2、 Dong, Shuang-Feng,Gao, Zhi-Yuan,He, Yu,Liu, Xu,Loh, Teck-Peng,Tian, Jie-Sheng,Wu, Peng. "Water-Tolerant ortho-Acylation of Phenols". supporting information. p. 6594 - 6598. Retrieved 2021/09/02.