2,3-Dimethoxy-5-sulfamoylbenzoic Acid

Base Information

• Chemical Name: 2,3-Dimethoxy-5-sulfamoylbenzoic Acid
• CAS No.: 66644-80-2
• Molecular Formula: C₉H₁₁NO₆S
• Molecular Weight: 261.255
• Hs Code.: 29089000
• European Community (EC) Number: 266-433-4
• DSSTox Substance ID: DTXSID8057801
• Nikkaji Number: J310.127D
• Wikidata: Q72468588
• ChEMBL ID: CHEMBL3561365
• Mol file: 66644-80-2.mol

Synonyms:2,3-Dimethoxy-5-sulfamoylbenzoic Acid;66644-80-2;2,3-Dimethoxy-5-sulphamoylbenzoic acid;5-(Aminosulfonyl)-2,3-dimethoxybenzoic Acid;2,3-Dimethoxy-5-Sulfamoyl Benzoic Acid;DTXSID8057801;EINECS 266-433-4;SCHEMBL3869771;CHEMBL3561365;DTXCID6031590;YEVQOPOKMKTXMD-UHFFFAOYSA-N;Tox21_113783;MFCD01317561;2,3-Dimethoxy-5-sulfamoylbenzoicAcid;AKOS000133634;AC-9616;SB81303;2,3-dimethoxy-5-sulphamoyl benzoic acid;2,3-dimethoxy-5-sulphamoyl-benzoic acid;NCGC00253657-01;AS-12047;CAS-66644-80-2;CS-0213137;FT-0641084;D88508;EN300-1617961;2,3-dimethoxy-5-sulfamoylbenzoic acid, AldrichCPR;A835510;AO-295/40848552;SR-01000944869;SR-01000944869-1;W-104743;2,3-dimethoxy-5-sulfamoyl-benzoic acid;2,3-Dimethoxy-5-sulfamoyl benzoic acid

Chemical Property of 2,3-Dimethoxy-5-sulfamoylbenzoic Acid

Chemical Property:

• Vapor Pressure: 8.76E-11mmHg at 25°C
• Melting Point: 206 °C
• Refractive Index: 1.564
• Boiling Point: 499.2 °C at 760 mmHg
• PKA: 3.44±0.10(Predicted)
• Flash Point: 255.7 °C
• PSA: 124.30000
• Density: 1.46 g/cm³
• LogP: 1.83050
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 261.03070824
• Heavy Atom Count: 17
• Complexity: 375

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dimethoxy-5-sulfamoylbenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)C(=O)O)S(=O)(=O)N

Technology Process of 2,3-Dimethoxy-5-sulfamoylbenzoic Acid

There total 3 articles about 2,3-Dimethoxy-5-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:

2,3-dimethoxy-5-sulfonamidobenzoic acid methyl ester (66644-82-4) → 2,3-dimethoxy-5-sulphamoyl benzoic acid (66644-80-2)

Guidance literature:

With water; sodium hydroxide; at 40 ℃; for 20h; Time;

Reference yield:

3,4-dimethoxy-5-bromobenzenesulfonamide → 2,3-dimethoxy-5-sulphamoyl benzoic acid (66644-80-2)

Guidance literature:

Multi-step reaction with 3 steps

1: copper(l) iodide / N,N-dimethyl-formamide / 12 h / 120 °C

2: hydrogenchloride / 6 h / 40 °C

3: sodium hydroxide; water / 20 h / 40 °C

With hydrogenchloride; copper(l) iodide; water; sodium hydroxide; In N,N-dimethyl-formamide;

Reference yield:

3,4-dimethoxybenzenesulfonamide (63624-27-1) → 2,3-dimethoxy-5-sulphamoyl benzoic acid (66644-80-2)

Guidance literature:

Multi-step reaction with 4 steps

1: iron; bromine / dichloromethane / 6 h / 60 °C

2: copper(l) iodide / N,N-dimethyl-formamide / 12 h / 120 °C

3: hydrogenchloride / 6 h / 40 °C

4: sodium hydroxide; water / 20 h / 40 °C

With hydrogenchloride; copper(l) iodide; water; bromine; iron; sodium hydroxide; In dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

2,3-dimethoxy-5-sulfonamidobenzoic acid methyl ester

3,4-dimethoxybenzenesulfonamide

Refernces