Methyl 2-Methoxy-5-Sulfamoylbenzoate

CAS Number: 33045-52-2

Molecular Formula: C9H11NO5S

Purity: 99.4% Methyl 2-Methoxy-5-Sulfamoylbenzoate

About Methyl 2-Methoxy-5-Sulfamoylbenzoate

Methyl 2-methoxy-5-sulfamoylbenzoate (CAS No: 33045-52-2) serves as a critical sulfonamide-based building block in the global pharmaceutical landscape, primarily valued for its role as a high-purity intermediate in the synthesis of antipsychotic agents such as sulpiride and levosulpiride. Its strategic importance is fu...

Methyl 2-Methoxy-5-Sulfamoylbenzoate Specifications

CAS Number

33045-52-2

Molecular Formula

C9H11NO5S

Molecular Weight

245.25 g/mol

IUPAC Name

methyl 2-methoxy-5-sulfamoylbenzoate

Canonical SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OC

InChI Key

MKDYDRQLKPGNNU-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO5S/c1-14-8-4-3-6(16(10,12)13)5-7(8)9(11)15-2/h3-5H,1-2H3,(H2,10,12,13)

EINECS Number

251-358-1

MDL Number

MFCD01317542

HSN No

29350090

CAS Number

33045-52-2

Molecular Formula

C9H11NO5S

Molecular Weight

245.25 g/mol

IUPAC Name

methyl 2-methoxy-5-sulfamoylbenzoate

Canonical SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OC

InChI Key

MKDYDRQLKPGNNU-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO5S/c1-14-8-4-3-6(16(10,12)13)5-7(8)9(11)15-2/h3-5H,1-2H3,(H2,10,12,13)

EINECS Number

251-358-1

MDL Number

MFCD01317542

HSN No

29350090

Molecular Weight

245.25 g/mol

Purity

99.4% Methyl 2-Methoxy-5-Sulfamoylbenzoate

Physical appearance

White to off-white crystalline powder

Melting Point

175-177 °C (lit.)

Boiling Point

439.8±55.0 °C at 760 mmHg

Flash Point

219.8 °C

Density

1.360±0.06 g/cm3

pKa

9.94±0.60

Precise Quality

98.0%

PSA

90.1 Å²

logP

0.36

Precautionary Statement Codes

P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, and P501

Hazard Classes and Categories

Acute Tox. 4 (69.2%) Skin Irrit. 2 (61.5%)

Pharmaceutical Intermediate

A reactant used in the preparation of various pharmaceutical compounds including anticoagulants, HCV NS5B polymerase inhibitors, and therapeutic drugs for neurodegenerative diseases

Chemical Synthesis

An important intermediate for the synthesis of sulpiride and levosulpiride, which are drugs used to treat psychiatric disorders such as schizophrenia and depression