3-(Diethylsulfamoyl)-4-methoxybenzoic acid

Base Information

• Chemical Name: 3-(Diethylsulfamoyl)-4-methoxybenzoic acid
• CAS No.: 299181-34-3
• Molecular Formula: C₁₂H₁₇NO₅S
• Molecular Weight: 287.337
• DSSTox Substance ID: DTXSID80967682
• Wikidata: Q82950292
• ChEMBL ID: CHEMBL1372178
• Mol file: 299181-34-3.mol

Synonyms:3-(diethylsulfamoyl)-4-methoxybenzoic acid;299181-34-3;3-[(diethylamino)sulfonyl]-4-methoxybenzoic acid;5316-26-7;3-diethylsulfamoyl-4-methoxybenzoic acid;Oprea1_716171;Oprea1_864368;MLS000760512;SCHEMBL7663794;CHEMBL1372178;DTXSID80967682;HMS1608M21;HMS2754O18;MFCD00760909;STK802629;AKOS001042043;3-(diethylsulfamoyl)-4-methoxybenzoicacid;3-Diethylsulfamoyl-4-methoxy-benzoic acid;SMR000369777;CS-0230468;EN300-10410;3-(N,N-diethylsulfamoyl)-4-methoxybenzoic acid;SR-01000399049;SR-01000399049-1;Z53036654

Chemical Property of 3-(Diethylsulfamoyl)-4-methoxybenzoic acid

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 287.08274382
• Heavy Atom Count: 19
• Complexity: 399

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC

Technology Process of 3-(Diethylsulfamoyl)-4-methoxybenzoic acid

There total 3 articles about 3-(Diethylsulfamoyl)-4-methoxybenzoic 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:

4-methoxybenzoic acid (100-09-4) → 3-diethylsulfamoyl-4-methoxybenzoic acid (299181-34-3)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorosulfonic acid / 4 h / 140 °C

2: ethyl acetate / 24 h / 20 °C

With chlorosulfonic acid; In ethyl acetate;

DOI:10.1021/jm049141s

Reference yield:

3-chlorosulfonyl-4-methoxybenzoic acid (50803-29-7) + diethylamine (109-89-7) → 3-diethylsulfamoyl-4-methoxybenzoic acid (299181-34-3)

Guidance literature:

In ethyl acetate; at 20 ℃; for 24h;

DOI:10.1021/jm049141s

Reference yield:

→ 3-diethylsulfamoyl-4-methoxybenzoic acid (299181-34-3)

Guidance literature:

upstream raw materials:

3-chlorosulfonyl-4-methoxybenzoic acid

diethylamine

4-methoxybenzoic acid

Downstream raw materials:

2,2'-[(E)-1,2-ethenediyl]bis[5-[[3-[(diethylamino)sulfonyl]-4-methoxybenzoyl]amino]benzenesulfonic acid]

2-(3-diethylsulfamoyl-4-methoxy-benzoylamino)-benzoic acid methyl ester

3-diethylsulfamoyl-4-methoxy-benzoyl chloride