2-Amino-4-methylbenzenesulfonic acid

Base Information

• Chemical Name: 2-Amino-4-methylbenzenesulfonic acid
• CAS No.: 88-62-0
• Molecular Formula: C7H9NO3S
• Molecular Weight: 187.219
• Hs Code.: 2921430090
• European Community (EC) Number: 201-844-4
• UNII: 51XX6Q201Z
• DSSTox Substance ID: DTXSID1058973
• Nikkaji Number: J36.210G
• Wikidata: Q27260930
• Mol file: 88-62-0.mol

Synonyms:2-amino-4-methylbenzenesulfonic acid;3-Aminotoluene-4-sulphonic acid;88-62-0;2-Amino-p-toluenesulfonic acid;Benzenesulfonic acid, 2-amino-4-methyl-;BRN 2098666;p-Toluenesulfonic acid, 2-amino-;EINECS 201-844-4;Kyselina 2-toluidin-4-sulfonova [Czech];UNII-51XX6Q201Z;Kyselina 2-toluidin-4-sulfonova;51XX6Q201Z;3-14-00-02222 (Beilstein Handbook Reference);3-aminotoluen-4-sulfonsyre;SCHEMBL342586;DTXSID1058973;3-Amino-p-toluene sulfonic acid;2-amino-4-methylbenzenesulfonicacid;AKOS006279569;3-AMINOTOLUENE-4-SULFONIC ACID;2-amino-4-methylbenzene-1-sulfonic acid;1-amino-3-methylbenzene-6 -sulfonic acid;LS-154159;Q27260930

Chemical Property of 2-Amino-4-methylbenzenesulfonic acid

Chemical Property:

• Refractive Index: 1.6100 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 88.77000
• Density: 1.431g/cm³
• LogP: 2.48590
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 187.03031432
• Heavy Atom Count: 12
• Complexity: 244

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)S(=O)(=O)O)N

Technology Process of 2-Amino-4-methylbenzenesulfonic acid

There total 5 articles about 2-Amino-4-methylbenzenesulfonic 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: 96.0%

5-methylbenzo[d]thiazole (2942-16-7) → 1-amino-3-methylbenzene-6-sulfonic acid (88-62-0)

Guidance literature:

With [RuCl(P(C₆H₅)3)2(O(C₆H₄)NCH(C₄H₃N))]; bromamine B; sodium hydroxide; In water; acetonitrile; at 39.84 ℃; for 4.16667h;

DOI:10.1016/j.molcata.2010.06.006

Reference yield:

5-amino-2-chloro-toluene-4-sulfonic acid (88-53-9) → 1-amino-3-methylbenzene-6-sulfonic acid (88-62-0)

Guidance literature:

With ethanol; nickel; Hydrogenation;

DOI:10.1021/ja01864a015

Reference yield:

→ 1-amino-3-methylbenzene-6-sulfonic acid (88-62-0)

Guidance literature:

With ammonium sulfide; man behandelt das Produkt in Wasser mit Natriumamalgam;

upstream raw materials:

methanol

2-nitro-4-toluenylsulfenyl chloride

5-amino-2-chloro-toluene-4-sulfonic acid

5-methylbenzo[d]thiazole

Downstream raw materials:

2-iodo-4-methylbenzenesulfonic acid

Refernces

• 1、 Jagadeesh, Rajenahally V.,Sandhya, Y. Sree,Karthikeyan,Reddy, S. Sudhakar,Reddy, P. Pradeep Kumar,Kumar, M. Viniod,Charan, K. T. Prabhu,Narender,Bhagat. "The efficient palladium-catalyzed selective t synthesis of benzenesulfonic acids". experimental part. p. 2343 - 2349. Retrieved 2011/09/12.
• 2、 -. "Barium laked phenylazonaphthalene dye containing sulfonic acid groups". . . Retrieved 2008/06/13.