Benzoic acid, 2,4-dimethoxy-6-[(phenylthio)methyl]-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 2,4-dimethoxy-6-[(phenylthio)methyl]-, methyl ester
• CAS No.: 70719-51-6
• Molecular Formula: C17H18O4S
• Molecular Weight: 318.394
• DSSTox Substance ID: DTXSID20449396
• Wikidata: Q82268844
• Mol file: 70719-51-6.mol

Synonyms:70719-51-6;Benzoic acid, 2,4-dimethoxy-6-[(phenylthio)methyl]-, methyl ester;DTXSID20449396

Chemical Property of Benzoic acid, 2,4-dimethoxy-6-[(phenylthio)methyl]-, methyl ester

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 318.09258022
• Heavy Atom Count: 22
• Complexity: 344

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)OC)C(=O)OC)CSC2=CC=CC=C2

Technology Process of Benzoic acid, 2,4-dimethoxy-6-[(phenylthio)methyl]-, methyl ester

There total 1 articles about Benzoic acid, 2,4-dimethoxy-6-[(phenylthio)methyl]-, methyl ester 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: 84.0%

methyl 2,4-dimethoxy-6-methylbenzoate (6110-37-8) + diphenyldisulfane (882-33-7) → methyl 2,4-dimethoxy-6-<(phenylthio) methyl>-benzoate (70719-51-6)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃;

DOI:10.1055/s-1980-28963

Reference yield: 80.0%

methyl 2,4-dimethoxy-6-<(phenylthio) methyl>-benzoate (70719-51-6) → methyl 2,4-dimethoxy-6-[(phenylsulfinyl)methyl]benzoate (1192123-45-7)

Guidance literature:

With sodium periodate; In methanol; water; at 20 ℃; Inert atmosphere;

DOI:10.1055/s-0029-1217390

Reference yield: 56.0%

methyl 2,4-dimethoxy-6-<(phenylthio) methyl>-benzoate (70719-51-6) → methyl 2,4-dimethoxy-6-[(phenylsulfonyl)methyl]benzoate (1192123-48-0)

Guidance literature:

With ammonium molybdate(VI) tetrahydrate; dihydrogen peroxide; In ethanol; water; at 0 - 20 ℃;

DOI:10.1055/s-0029-1217390

upstream raw materials:

methyl 2,4-dimethoxy-6-methylbenzoate

diphenyldisulfane

Downstream raw materials:

2,4-Dimethoxy-6-phenylsulfanylmethyl-benzoic acid

Methyl 2,4-dimethoxy-6-<1-(phenylthio)propyl>benzoate

(R)-methyl 2,4-dimethoxy-6-(1-thiophenyl-8-tert-butyldimethylsilyloxynonyl)benzoate

(R)-6-(8'-Hydroxynonyl)-2,4-dimethoxybenzoesaeure-methylester

Refernces

• 1、 Jones, Graham B.,Huber, Robert S.,Chapman, Brant J.. "Catalytic enantioselective synthesis of macrolides via asymmetric alkylation". . p. 1797 - 1809. Retrieved 2007/10/03.