2-Sulfamoylbenzoic acid

Base Information

• Chemical Name: 2-Sulfamoylbenzoic acid
• CAS No.: 632-24-6
• Molecular Formula: C7H7NO4S
• Molecular Weight: 201.203
• Hs Code.: 2935009090
• European Community (EC) Number: 211-174-4
• NSC Number: 22975
• UNII: KBN32FEG3Z
• DSSTox Substance ID: DTXSID50903017
• Nikkaji Number: J134.708J
• Mol file: 632-24-6.mol

Synonyms:2-sulfamoylbenzoic acid;2-sulfamoylbenzoic acid, monoammonium salt;2-sulfamoylbenzoic acid, monosodium salt;o-sulphamoylbenzoic acid;ortho-sulfamoylbenzoic acid

Chemical Property of 2-Sulfamoylbenzoic acid

Chemical Property:

• Vapor Pressure: 4.62E-09mmHg at 25°C
• Melting Point: 154-156 °C
• Refractive Index: 1.611
• Boiling Point: 454.8 °C at 760 mmHg
• PKA: 3.13±0.36(Predicted)
• Flash Point: 228.8 °C
• PSA: 105.84000
• Density: 1.536 g/cm³
• LogP: 1.81330
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 201.00957888
• Heavy Atom Count: 13
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

2-(Aminosulfonyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N
• Use Description: 2-Carboxy phenylsulfamide is a specific chemical compound with diverse applications across various fields. In the pharmaceutical and medicinal chemistry sector, it plays a pivotal role as a key intermediate in the synthesis of complex molecules and potential therapeutic agents, contributing to drug discovery and the development of pharmaceutical compounds. In the realm of materials science, this compound can serve as a building block for the creation of innovative materials with unique properties, potentially enhancing the functionality of materials in various applications. Moreover, in chemical research, it may be employed to investigate reaction mechanisms and explore new synthetic pathways, furthering our understanding of organic chemistry. Its applications in pharmaceuticals, materials science, and chemical research highlight its significance in driving drug development, material innovation, and scientific exploration within these diverse domains.

Technology Process of 2-Sulfamoylbenzoic acid

There total 8 articles about 2-Sulfamoylbenzoic acid 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: 92.0%

saccharin (81-07-2) → 2-sulfamoyl-benzoic acid (632-24-6)

Guidance literature:

With sodium hydroxide; In water; for 4h; Reflux;

DOI:10.1002/aoc.6464

Reference yield: 59.0%

N-(fluoromethyl)saccharin (133742-01-5) → 2-sulfamoyl-benzoic acid (632-24-6)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran;

DOI:10.1021/jm00073a019

Reference yield:

methyl 2-(aminosulfonyl)benzoate (88-19-7) → 2-sulfamoyl-benzoic acid (632-24-6)

Guidance literature:

With potassium hydroxide; water; potassium hexacyanoferrate(III);

upstream raw materials:

methyl 2-(aminosulfonyl)benzoate

saccharin

N-(fluoromethyl)saccharin

thiosaccharine

Downstream raw materials:

2-carboxamidebenzenesulfonic acid

saccharin

Refernces

• 1、 Groutas, William C.,Houser-Archield, Nadene,Chong, Lee S.,Venkataraman, Radhika,Epp, Jeffrey B.,et al.. "Efficient Inhibition of Human Leukocyte Elastase and Cathepsin G by Saccharin Derivatives". . p. 3178 - 3181. Retrieved 2007/10/02.