4-Methoxybenzil

Base Information

• Chemical Name: 4-Methoxybenzil
• CAS No.: 22711-21-3
• Molecular Formula: C15H12 O3
• Molecular Weight: 240.258
• Hs Code.: 2914509090
• European Community (EC) Number: 636-591-2
• NSC Number: 602911,39465
• UNII: EAT6GLQ2BR
• DSSTox Substance ID: DTXSID40177245
• Nikkaji Number: J41.321F
• Wikidata: Q83047560
• Pharos Ligand ID: SVT1VSK9JVG3
• ChEMBL ID: CHEMBL192474
• Mol file: 22711-21-3.mol

Synonyms:4-Methoxybenzil;p-Methoxybenzil;22711-21-3;1-(4-methoxyphenyl)-2-phenylethane-1,2-dione;BENZIL, 4-METHOXY-;Ethanedione, (4-methoxyphenyl)phenyl-;NSC 39465;EAT6GLQ2BR;BRN 2052507;NSC-39465;1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione;4-08-00-02532 (Beilstein Handbook Reference);NSC39465;Dibenzoyl, 4-methoxy;UNII-EAT6GLQ2BR;D0T5XC;Benzil-based compound, 20;CHEMBL192474;SCHEMBL2156563;BDBM22742;DTXSID40177245;4-Methoxybibenzyl-alpha,beta-dione;HMS3744E17;MFCD00017176;NSC602911;STK863335;AKOS000298817;NSC-602911;AS-56677;LS-32533;CS-0117108;FT-0727501;1-(4-Methoxyphenyl)-2-phenyl-1,2-ethanedione;1-(4-Methoxyphenyl)-2-phenyl-ethan-1,2-dion;W18698;1-(4-Methoxyphenyl)-2-phenyl-ethan-1,2-dione

Chemical Property of 4-Methoxybenzil

Chemical Property:

• Vapor Pressure: 1.45E-06mmHg at 25°C
• Boiling Point: 398.7°Cat760mmHg
• Flash Point: 178.1°C
• PSA: 43.37000
• Density: 1.175g/cm³
• LogP: 2.76080
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 240.078644241
• Heavy Atom Count: 18
• Complexity: 297

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Methoxybenzil

There total 110 articles about 4-Methoxybenzil 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: 100.0%

1-(4-methoxyphenyl)-2-phenyl-2-(phenylimino)ethanone → 4-methoxybenzil (22711-21-3)

Guidance literature:

With hydrogenchloride; water; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1016/j.tet.2011.04.020

Reference yield: 98.0%

4-methoxyphenyl benzyl ketone (1023-17-2) → 4-methoxybenzil (22711-21-3)

Guidance literature:

With selenium(IV) oxide; In dimethyl sulfoxide; at 170 ℃; for 0.0166667h; Microwave irradiation;

DOI:10.2174/1573406411666150513093039

Reference yield: 97.0%

2-(4-methoxyphenyl)acetophenone (24845-40-7) → 4-methoxybenzil (22711-21-3)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In N,N-dimethyl-formamide; at 90 ℃; for 24h;

DOI:10.1055/s-0030-1258375

upstream raw materials:

4-methoxyphenyl benzyl ketone

4'-methoxybenzoin

4-methoxybenzoin

benzaldehyde

Downstream raw materials:

1-(4-hydroxyphenyl)-2-phenylethan-1,2-dione

α-hydroxyimino-α-phenyl-4-methoxyacetophenone

4-methoxybenzilic acid

2,2-dichloro-1-(4-methoxyphenyl)-2-phenylethanone

Refernces

• 1、 Sklute, Genia,Oizerowich, Rachel,Shulman, Hagit,Keinan, Ehud. "Antibody-Catalyzed Benzoin Oxidation as a Mechanistic Probe for Nucleophilic Catalysis by an Active Site Lysine". . p. 2159 - 2165. Retrieved 2004.
• 2、 Fujiwara, Sakiko,Kon, Yoshihiro,Mashima, Kazushi,Nagae, Haruki,Okuda, Jun,Sakamoto, Kazutaka,Sato, Kazuhiko,Schindler, Tobias. "Aerobic oxygenation of α-methylene ketones under visible-light catalysed by a CeNi3complex with a macrocyclic tris(salen)-ligand". supporting information. p. 11169 - 11172. Retrieved 2021/11/04.
• 3、 Chand, Shiv,Pandey, Anand Kumar,Singh, Rahul,Singh, Krishna Nand. "Visible-Light-Induced Photocatalytic Oxidative Decarboxylation of Cinnamic Acids to 1,2-Diketones". . p. 6486 - 6493. Retrieved 2021/05/06.