Methyl 4-amino-2-sulfamoylbenzoate

Base Information

• Chemical Name: Methyl 4-amino-2-sulfamoylbenzoate
• CAS No.: 2297-06-5
• Molecular Formula: C8H10N2O4S
• Molecular Weight: 230.244
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID10450512
• Wikidata: Q82270278
• Mol file: 2297-06-5.mol

Synonyms:Methyl 4-amino-2-sulfamoylbenzoate;2297-06-5;SCHEMBL8030650;Benzoic acid, 4-amino-2-(aminosulfonyl)-, methyl ester;DTXSID10450512;Methyl4-amino-2-sulfamoylbenzoate;UCCAGURECWZRSG-UHFFFAOYSA-N;MFCD22421606;AKOS015998871;methyl 4-amino-2-aminosulfonylbenzoate;methyl 4-amino2-(aminosulfonyl)benzoate;DS-18227;methyl 4-amino-2-(aminosulfonyl)benzoate;CS-0137221;EN300-281744;W17300;A912715

Chemical Property of Methyl 4-amino-2-sulfamoylbenzoate

Chemical Property:

• PSA: 120.86000
• LogP: 2.06510
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 230.03612798
• Heavy Atom Count: 15
• Complexity: 335

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-amino-2-sulfamoylbenzoate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=C(C=C1)N)S(=O)(=O)N

Technology Process of Methyl 4-amino-2-sulfamoylbenzoate

There total 6 articles about Methyl 4-amino-2-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: 99.0%

methyl 2-sulfonamido-4-nitrobenzoate (2297-01-0) → methyl 4-amino2-(aminosulfonyl)-benzoate (2297-06-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 1h;

DOI:10.1016/j.carres.2019.03.001

Reference yield:

6-nitrosaccharin (22952-24-5) → methyl 4-amino2-(aminosulfonyl)-benzoate (2297-06-5)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / 7 h / Reflux

2: iron; hydrogenchloride / water; ethanol / 2 h / Reflux

With hydrogenchloride; iron; In ethanol; water;

DOI:10.1021/acs.jafc.7b03029

Reference yield:

2-methyl-5-nitrobenzene-1-sulfonyl chloride (121-02-8) → methyl 4-amino2-(aminosulfonyl)-benzoate (2297-06-5)

Guidance literature:

Multi-step reaction with 4 steps

1: ammonium hydroxide / tetrahydrofuran / 4 h / 20 °C

2: chromium(VI) oxide; sulfuric acid / water / 24 h / 0 - 20 °C

3: hydrogenchloride / 7 h / Reflux

4: iron; hydrogenchloride / water; ethanol / 2 h / Reflux

With chromium(VI) oxide; hydrogenchloride; ammonium hydroxide; sulfuric acid; iron; In tetrahydrofuran; ethanol; water;

DOI:10.1021/acs.jafc.7b03029

upstream raw materials:

6-nitrosaccharin

methyl 2-sulfonamido-4-nitrobenzoate

2-methyl-5-nitroaniline

2-methyl-5-nitrobenzene-1-sulfonyl chloride

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