| Identification | Back Directory | [Name]
4-(dimethylamino)benzenesulphonic acid | [CAS]
121-58-4 | [Synonyms]
N,N-Dimethylsulfanilic acid
Benzenesulfonic Acid Impurity 11
4-(dimethylamino)benzenesulfonicaci
p-dimethylaminobenzenesulfonic acid
N,N-Dimethylaniline-p-sulfonic acid
4-(DiMethylaMino)benzenesulfonic acid
4-(dimethylamino)benzenesulphonic acid
Benzenesulfonic acid,4-(dimethylamino)-
4-(dimethylamino)benzenesulphonic acid ISO 9001：2015 REACH | [EINECS(EC#)]
204-483-0 | [Molecular Formula]
C8H11NO3S | [MDL Number]
MFCD20269870 | [MOL File]
121-58-4.mol | [Molecular Weight]
201.24 |
| Chemical Properties | Back Directory | [Melting point ]
270.5°C | [density ]
1.3156 (rough estimate) | [refractive index ]
1.5364 (estimate) | [storage temp. ]
Store at room temperature | [pka]
-1.15±0.50(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C8H11NO3S/c1-9(2)7-3-5-8(6-4-7)13(10,11)12/h3-6H,1-2H3,(H,10,11,12) | [InChIKey]
KZVBBVPCVQEVQK-UHFFFAOYSA-N | [SMILES]
C1(S(O)(=O)=O)=CC=C(N(C)C)C=C1 | [EPA Substance Registry System]
Benzenesulfonic acid, 4-(dimethylamino)- (121-58-4) |
| Hazard Information | Back Directory | [Uses]
N,N-Dimethylsulfanilic Acid, is a benzoic acid derivative acting as a weak yeast sirtuin inhibitors. | [Synthesis]
4-(Dimethylamino)benzenesulfonic acid was synthesized as follows: to a 250 mL three-necked round-bottomed flask, a solution of N,N-dimethylaniline (20 g, 165.29 mmol) in ether (40 mL) was added under ice bath conditions. Subsequently, a solution of sulfuric acid (16.1 g, 161.00 mmol) in ether (160 mL) was added slowly and dropwise. Upon completion of the reaction, the ether solvent was removed by rotary evaporator. The resulting mixture was reacted under stirring conditions at 170 °C under vacuum for 4 hours. Eventually, 10.5 g of 4-(dimethylamino)benzenesulfonic acid was obtained in 32% yield and the product was a white solid. | [References]
[1] Patent: US2010/256092, 2010, A1. Location in patent: Page/Page column 134
[2] European Journal of Medicinal Chemistry, 2001, vol. 36, # 10, p. 809 - 828
[3] Synthesis, 1982, # 4, p. 277 - 280
[4] Patent: US2008/318941, 2008, A1. Location in patent: Page/Page column 37
[5] Patent: US2008/200471, 2008, A1. Location in patent: Page/Page column 60 |
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