Methyl 2-Methoxy-5-(methylsulfonyl)benzoate

Base Information

• Chemical Name: Methyl 2-Methoxy-5-(methylsulfonyl)benzoate
• CAS No.: 63484-12-8
• Molecular Formula: C₁₀H₁₂O₅S
• Molecular Weight: 244.268
• Hs Code.: 2918990090
• European Community (EC) Number: 264-267-7
• UNII: O86O9BO8DJ
• DSSTox Substance ID: DTXSID30212891
• Nikkaji Number: J135.029C
• Wikidata: Q72492625
• Mol file: 63484-12-8.mol

Synonyms:63484-12-8;Methyl 2-Methoxy-5-(methylsulfonyl)benzoate;methyl 2-methoxy-5-methylsulfonylbenzoate;Methyl 5-mesyl-o-anisate;O86O9BO8DJ;Benzoic acid, 2-methoxy-5-(methylsulfonyl)-, methyl ester;EINECS 264-267-7;2-Methoxy-5-methylsulfonylbenzoic acid methyl ester;METHYL 2-METHOXY-5-(METHYLSULPHONYL)BENZOATE;2-Methoxy-5-methylsulfonyl benzoic acid methyl ester;methyl 5-methanesulfonyl-2-methoxybenzoate;UNII-O86O9BO8DJ;SCHEMBL3220624;DTXSID30212891;DSRPTFIZJVCPPS-UHFFFAOYSA-N;BCP13384;MFCD01317545;AKOS008901306;AB08556;CS-W012738;PS-7535;NCGC00253648-01;AC-11463;FT-0640893;M1963;H10758;methyl 2-(methyloxy)-5-(methylsulfonyl)benzoate;SR-01000945069;5-Methylsulfonyl-2-methoxybenzoic acid methyl ester;SR-01000945069-1;W-104910;2-Methoxy-5-(methylsulfonyl)benzoic Acid Methyl Ester;BRD-K77624155-001-01-1;TIAPRIDE HYDROCHLORIDE IMPURITY A [EP IMPURITY]

Chemical Property of Methyl 2-Methoxy-5-(methylsulfonyl)benzoate

Chemical Property:

• Appearance/Colour: yellowish fine powder
• Vapor Pressure: 1.41E-07mmHg at 25°C
• Melting Point: 117 °C
• Boiling Point: 396.7oC at 760 mmHg
• Flash Point: 167.6oC
• PSA: 78.05000
• Density: 1.126 g/cm3
• LogP: 1.96610
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 9.923g/L at 25℃
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 244.04054465
• Heavy Atom Count: 16
• Complexity: 343

Purity/Quality:

99.9% ^*data from raw suppliers

Methyl 2-Methoxy-5-(methylsulfonyl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC
• Uses: Methyl 2-methoxy-5-(methylsulfonyl)benzoate is an impurity of Tiapride (T437050), a D2 and D3 dopamine receptor antagonist and a antipsychotic drug predominately used in the pharmacotherapy of patients with dementia.

Technology Process of Methyl 2-Methoxy-5-(methylsulfonyl)benzoate

There total 1 articles about Methyl 2-Methoxy-5-(methylsulfonyl)benzoate 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:

→ methyl 2-(methyloxy)-5-(methylsulfonyl)benzoate (63484-12-8)

Guidance literature:

Refernces

• 1、 -. "Substituted 4-(1H-benzimidazol-2-yl)[1,4]diazepanes useful for the treatment of allergic disease". . . Retrieved 2008/06/13.
• 2、 -. "Substituted 4-(1H-benzimidazol-2-yl-amino)piperidines useful for the treatment of allergic diseases". . . Retrieved 2008/06/13.