N-Acetylsulfanilic acid

Base Information

• Chemical Name: N-Acetylsulfanilic acid
• CAS No.: 121-62-0
• Molecular Formula: C8H9NO4S
• Molecular Weight: 215.23
• Hs Code.: 2924299090
• European Community (EC) Number: 204-487-2
• UNII: 9B6H3LU885
• DSSTox Substance ID: DTXSID0059530
• Nikkaji Number: J5.343K
• Wikidata: Q27272299
• ChEMBL ID: CHEMBL131259
• Mol file: 121-62-0.mol

Synonyms:N-Acetylsulfanilic acid;4-acetamidobenzenesulfonic acid;121-62-0;N-Acetylsulphanilic acid;4-(ACETYLAMINO)BENZENESULFONIC ACID;Benzenesulfonic acid, 4-(acetylamino)-;N-p-acetylanilinosulfonic acid;UNII-9B6H3LU885;9B6H3LU885;EINECS 204-487-2;4-AcetamidobenzenesulfonicAcid-d4(Major);acetanilidsulfonic acid;4-acetamidobenzene-1-sulfonic acid;starbld0018837;CBDivE_002816;CHEMBL131259;SCHEMBL1102016;DTXSID0059530;4-Acetylamino-benzenesulfonic acid;N-ACETYLSULFANILIC ACID [MI];AKOS003237084;FT-0660973;SULFADIMETHOXINE IMPURITY C [EP IMPURITY];J-004547;Q27272299;SULFADIMETHOXINE SODIUM FOR VETERINARY USE IMPURITY C [EP IMPURITY]

Chemical Property of N-Acetylsulfanilic acid

Chemical Property:

• Refractive Index: 1.606
• PSA: 95.34000
• Density: 1.481 g/cm³
• LogP: 2.62200
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 215.02522894
• Heavy Atom Count: 14
• Complexity: 298

Purity/Quality:

99%, ^*data from raw suppliers

4-AcetamidobenzenesulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)O
• Uses: 4-Acetamidobenzenesulfonic Acid is a metabolite of Sulfanilic acid.

Technology Process of N-Acetylsulfanilic acid

There total 15 articles about N-Acetylsulfanilic 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: 99.2%

Acetanilid (103-84-4) → N-acetylsulfanilic acid (121-62-0)

Guidance literature:

With chlorosulfonic acid; ammonium sulfate; at 0 - 50 ℃; for 2h; Temperature;

Reference yield: 90.0%

→ N-acetylsulfanilic acid (121-62-0)

Guidance literature:

Reference yield:

N-[4-((3S,3aR,4S,6aR,9S,9aR,9bR)-4-Hydroxy-9-methyl-6-methylene-2,8-dioxo-dodecahydro-azuleno[4,5-b]furan-3-ylmethylsulfanyl)-phenyl]-acetamide (248584-41-0) → grosheimin (22489-66-3) + N-acetylsulfanilic acid (121-62-0)

Guidance literature:

With phosphate buffer; dihydrogen peroxide; In methanol; at 37 ℃; pH=7.4; Kinetics;

DOI:10.1016/S0223-5234(99)80100-7

upstream raw materials:

Ketene

sodium sulfanilate

4-bromoacetanilide

acetic anhydride

Downstream raw materials:

7-(4-bromobenzoyl)-1,3-dihydro-2H-indol-2-one

bromfenac sodium

1-<4-Amino-phenoxy>-5-<4-acetamino-phenylsulfonyl>-pentan

N-(4-aminophenylsulfonyl)isobutyramide

Refernces

• 1、 Geng, Jin,Zhang, Yichuan,Gao, Quan,Neumann, Kevin,Dong, Hua,Porter, Hamish,Potter, Mark,Ren, Hua,Argyle, David,Bradley, Mark. "Switching on prodrugs using radiotherapy". . p. 805 - 810. Retrieved 2021/06/14.
• 2、 Wang, Yanping,Zhou, Chengzhi,Wu, Jinhua,Niu, Junfeng. "Insights into the electrochemical degradation of sulfamethoxazole and its metabolite by Ti/SnO2-Sb/Er-PbO2 anode". supporting information. p. 2673 - 2677. Retrieved 2020/06/01.