2-(Dimethylamino)benzenesulfonic acid

Base Information

• Chemical Name: 2-(Dimethylamino)benzenesulfonic acid
• CAS No.: 14503-46-9
• Molecular Formula: C8H11NO3S
• Molecular Weight: 201.246
• Hs Code.: 2921199090
• DSSTox Substance ID: DTXSID90453006
• Nikkaji Number: J81.780E
• Wikidata: Q82273967
• Mol file: 14503-46-9.mol

Synonyms:2-(Dimethylamino)benzenesulfonic acid;14503-46-9;SCHEMBL6265807;dimethyl aminobenzenesulfonic acid;DTXSID90453006;2-(Dimethylamino)benzene-1-sulfonic acid

Chemical Property of 2-(Dimethylamino)benzenesulfonic acid

Chemical Property:

• PSA: 65.99000
• LogP: 2.08010
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 201.04596439
• Heavy Atom Count: 13
• Complexity: 255

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=CC=C1S(=O)(=O)O

Technology Process of 2-(Dimethylamino)benzenesulfonic acid

There total 10 articles about 2-(Dimethylamino)benzenesulfonic 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: 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;

Reference yield:

N,N-dimethylanilinium sulfate → 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 2h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

upstream raw materials:

N,N-dimethylaniline N-oxide

2-amino-1-benzenesulfonic acid

dimethyl sulfate

methyl iodide

Downstream raw materials:

N,N-dimethyl-aniline

p-N,N-dimethylaminobenzenesulfonic acid

N,N-dimethyl-m-aminobenzenesulfonic acid

Refernces

• 1、 Khelevin, R. N.. "KINETICS OF SULFONATION OF AMINES OF THE BENZENE SERIES IN APROTIC SOLVENTS". . p. 2276 - 2283. Retrieved 2007/10/02.
• 2、 Khelevin, R. N.. "REARRANGEMENT OF PHENYL- AND N-ALKYLPHENYLAMMONIUM HYDROGEN SULFATES IN ORGANIC SOLVENTS". . p. 1906 - 1911. Retrieved 2007/10/02.