Benzenesulfonic acid, 4-(dimethylamino)-

Base Information

• Chemical Name: Benzenesulfonic acid, 4-(dimethylamino)-
• CAS No.: 121-58-4
• Molecular Formula: C8H11 N O3 S
• Molecular Weight: 201.246
• Hs Code.: 2921199090
• European Community (EC) Number: 204-483-0
• NSC Number: 3540
• UNII: CG8J8F96QB
• DSSTox Substance ID: DTXSID1059529
• Nikkaji Number: J76.372A
• Wikidata: Q81988845
• ChEMBL ID: CHEMBL3098159
• Mol file: 121-58-4.mol

Synonyms:4-(dimethylamino)benzenesulfonic acid;121-58-4;Benzenesulfonic acid, 4-(dimethylamino)-;N,N-Dimethylsulfanilic acid;4-(Dimethylamino)benzenesulphonic acid;4-Dimethylamino-benzenesulfonic acid;AI3-17668;Sulfanilic acid, N,N-dimethyl-;NSC 3540;NSC-3540;EINECS 204-483-0;N,N-Dimethyl-sulfanilsaeure;Benzenesulfonic acid,4-(dimethylamino)-;4-(Dimethylamino)benzenesulfonicacid;Dimethyl-sulfanilsaure;Sulfanilic acid,N-dimethyl-;CG8J8F96QB;SCHEMBL1134428;CHEMBL3098159;DTXSID1059529;NSC3540;MFCD20269870;STL280239;4-(dimethylamino) benzenesulfonic acid;AKOS005208831;4-(dimethylamino)benzene-1-sulfonic acid;DS-19070;CS-0042842;FT-0718715;A18133;W17237

Chemical Property of Benzenesulfonic acid, 4-(dimethylamino)-

Chemical Property:

• Melting Point: 270.5°C
• Refractive Index: 1.5364 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: -1.15±0.50(Predicted)
• Flash Point: °C
• PSA: 65.99000
• Density: 1.339g/cm³
• LogP: 2.08010
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 201.04596439
• Heavy Atom Count: 13
• Complexity: 247

Purity/Quality:

99%, ^*data from raw suppliers

N,N-DimethylsulfanilicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)S(=O)(=O)O
• Uses: N,N-Dimethylsulfanilic Acid, is a benzoic acid derivative acting as a weak yeast sirtuin inhibitors.

Technology Process of Benzenesulfonic acid, 4-(dimethylamino)-

There total 15 articles about Benzenesulfonic acid, 4-(dimethylamino)- 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: 100.0%

N,N-dimethyl-aniline (121-69-7,77733-26-7) → p-N,N-dimethylaminobenzenesulfonic acid (121-58-4)

Guidance literature:

With bis(trimethylsilyl)sulphate; at 170 ℃; for 5h;

Reference yield: 33.6%

N,N-dimethyl-aniline (121-69-7,77733-26-7) → 2-dimethylamino-benzenesulfonic acid (14503-46-9) + p-N,N-dimethylaminobenzenesulfonic acid (121-58-4) + N,N-dimethyl-m-aminobenzenesulfonic acid (618-09-7)

Guidance literature:

With sulfuric acid; at 60 ℃; for 1h;

Reference yield: 0.6%

N,N-dimethyl-aniline (121-69-7,77733-26-7) → 2-dimethylamino-benzenesulfonic acid (14503-46-9) + p-N,N-dimethylaminobenzenesulfonic acid (121-58-4)

Guidance literature:

With chlorosulfonic acid; In 1,2-dichloro-benzene; at 50 ℃; for 1h; Product distribution; Kinetics; Mechanism; E(activ), oth. temperatures;

upstream raw materials:

N,N-dimethylaniline N-oxide

N,N-dimethyl-aniline

dimethyl sulfate

4-aminobenzene sulfonic acid

Downstream raw materials:

N,N-Dimethyl-4-nitroaniline

N-methyl-N-nitroso-4-nitroaniline

dimethyl-[4-(2-tridecyl-4-trityl-piperazine-1-sulfonyl)-phenyl]-amine

N,N-dimethyl-aniline

Refernces

• 1、 Fierz-David,Blangey. "-". . p. 213,214. Retrieved 1940.
• 2、 -. "BORON-CONTAINING SMALL MOLECULES". Page/Page column 134. . Retrieved 2012/06/05.