Etebenecid

Base Information

• Chemical Name: Etebenecid
• CAS No.: 1213-06-5
• Molecular Formula: C11H15NO4S
• Molecular Weight: 257.31
• Hs Code.: 2935009090
• European Community (EC) Number: 214-925-4
• NSC Number: 49467
• UNII: 4413I5098G
• DSSTox Substance ID: DTXSID7023011
• Nikkaji Number: J13.173C
• Wikidata: Q27258685
• NCI Thesaurus Code: C65557
• ChEMBL ID: CHEMBL1705586
• Mol file: 1213-06-5.mol

Synonyms:4-((diethylamino)sulfonyl)benzoic acid;Etamid

Chemical Property of Etebenecid

Chemical Property:

• Vapor Pressure: 1.11E-07mmHg at 25°C
• Melting Point: 192-194° (with turbidity)
• Boiling Point: 416.5 °C at 760 mmHg
• PKA: 3.59±0.10(Predicted)
• Flash Point: 205.7 °C
• PSA: 83.06000
• Density: 1.283 g/cm³
• LogP: 2.49610
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 257.07217913
• Heavy Atom Count: 17
• Complexity: 348

Purity/Quality:

98%min ^*data from raw suppliers

N,N-DIETHYL-4-SULFAMOYLBENZOIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Etebenecid

There total 3 articles about Etebenecid 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: 80.0%

p-carboxyphenylsulfonyl chloride (10130-89-9) + diethylamine (109-89-7) → Antidipsin (1213-06-5)

Guidance literature:

With sodium hydroxide; In water; at 30 ℃; for 3h;

DOI:10.1515/HC.2006.12.6.453

Reference yield: 44.0%

→ Antidipsin (1213-06-5)

Guidance literature:

Reference yield:

→ Antidipsin (1213-06-5)

Guidance literature:

With n-butyllithium; diethyl ether; at -75 ℃; anschliessend mit Kohlendioxid;

DOI:10.1021/ja01198a508

upstream raw materials:

p-carboxyphenylsulfonyl chloride

diethylamine

Downstream raw materials:

4-{[2-({3-[(3-bromo-5-chlorophenyl)oxy]-4-chloro-2-fluorophenyl}acetyl)hydrazino]carbonyl}-N,N-diethylbenzenesulfonamide

N-[4-(4-cyanophenyl)thiazol-2-yl]-4-diethylaminosulfonylbenzamide

N,N-Diethyl-4-(5-ethyl-[1,3,4]oxadiazol-2-yl)-benzenesulfonamide

N,N-Diethyl-4-(5-methyl-[1,3,4]oxadiazol-2-yl)-benzenesulfonamide

Refernces

• 1、 -. "Benzothiazole derivatives with activity as adenosine receptor ligands". . . Retrieved 2008/06/13.
• 2、 Sharghi,Lalezari,Niloofari,Golgolab. "Sulfamoylbenzoic acid ester derivatives as potential local anesthetics. I.". . p. 696 - 697. Retrieved 2007/10/06.