Methyl 2-methoxy-5-sulfamoylbenzoate

Base Information

• Chemical Name: Methyl 2-methoxy-5-sulfamoylbenzoate
• CAS No.: 33045-52-2
• Molecular Formula: C9H11NO5S
• Molecular Weight: 245.256
• Hs Code.: 2935009090
• European Community (EC) Number: 251-358-1
• UNII: F8XVA6KYT6
• DSSTox Substance ID: DTXSID4057718
• Nikkaji Number: J33.494D
• Wikidata: Q72492702
• ChEMBL ID: CHEMBL3560556
• Mol file: 33045-52-2.mol

Synonyms:o-Anisicacid, 5-sulfamoyl-, methyl ester (8CI);4-Methoxy-3-(methoxycarbonyl)benzenesulfonamide;Methyl2-methoxy-5-sulfamoylbenzoate;Methyl 5-(aminosulfonyl)-2-methoxybenzoate;Methyl 5-sulfamoyl-2-methoxybenzoate;benzoic acid, 5-(aminosulfonyl)-2-methoxy-, methyl ester;Methyl-2-methoxy-5-sulfamoylbenzolcarboxylate;Methyl 2-methoxy-5-aminosulfonylbenzoate;

Chemical Property of Methyl 2-methoxy-5-sulfamoylbenzoate

Chemical Property:

• Vapor Pressure: 6.2E-08mmHg at 25°C
• Melting Point: 175-177 °C(lit.)
• Refractive Index: 1.541
• Boiling Point: 439.8 °C at 760 mmHg
• PKA: 9.94±0.60(Predicted)
• Flash Point: 219.8 °C
• PSA: 104.07000
• Density: 1.36 g/cm³
• LogP: 1.91030
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 245.03579362
• Heavy Atom Count: 16
• Complexity: 347

Purity/Quality:

99.9% ^*data from raw suppliers

Methyl 5-(Aminosulfonyl)-2-methoxybenzoate >98.0%(HPLC) ^*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)N)C(=O)OC
• Uses: Methyl 2-methoxy-5-sulfamoylbenzoate is a reactant used in the preparation of many pharmaceutical compounds used as anticoagulants, HCV NS5B polymerase inhibitors, therapeutic drugs for treatment of neurodegenerative diseases and oral hypog lycemic agents.

Technology Process of Methyl 2-methoxy-5-sulfamoylbenzoate

There total 4 articles about Methyl 2-methoxy-5-sulfamoylbenzoate 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: 96.55%

methyl 5-chloro-2-methoxybenzoate (33924-48-0) → methyl 2-methoxy-5-sulfamoyl-benzoate (33045-52-2)

Guidance literature:

With sodium sulfamate; copper(I) bromide; In tetrahydrofuran; at 50 ℃; for 10h; Temperature; Reflux;

Reference yield: 88.6%

methanol (67-56-1) + 3-cyano-4-methoxybenzenesulfonamide (22117-84-6) → methyl 2-methoxy-5-sulfamoyl-benzoate (33045-52-2)

Guidance literature:

With hydrogenchloride; at 40 ℃; for 6h; Time;

Reference yield:

methanol (67-56-1) + 2-methoxy-5-sulfamoylbenzoic acid (22117-85-7) → methyl 2-methoxy-5-sulfamoyl-benzoate (33045-52-2)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

methanol

2-methoxy-5-sulfamoylbenzoic acid

methyl 5-chloro-2-methoxybenzoate

3-cyano-4-methoxybenzenesulfonamide

Downstream raw materials:

N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide

2-Methoxy-N-[(1S,9aR)-1-(octahydro-quinolizin-1-yl)methyl]-5-sulfamoyl-benzamide

2-methoxy-5-sulfamoylbenzoic acid

(S)-(-)-sulpiride

Refernces

• 1、 -. "Preparation method of methyl 2-methoxy-5-sulfamoylbenzoate". Paragraph 0018; 0019. . Retrieved 2016/10/27.
• 2、 -. "Synthesis method of 2-methoxyl-5-amino sulfanoylmethyl benzoate". Paragraph 0012; 0018. . Retrieved 2016/11/14.