- Method for preparing suplatast tosylate, China, , ,
Cas no 16722-51-3 (Benzenesulfonic acid,4-methyl-, ion(1-))
16722-51-3 structure
Product Name:Benzenesulfonic acid,4-methyl-, ion(1-)
Benzenesulfonic acid,4-methyl-, ion(1-) Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,4-methyl-, ion(1-)
- 4-methylbenzenesulfonate
- 4-toluene sulfonate
- p-Toluene sulfonate
- Toluene-4-sulfonate
- p-Methylbenzenesulfonate
- 4-Methylbenzenesulfonic acid anion
- DTXSID7045075
- p-toluene-sulfonate
- para-toluenesulfonate
- CHEBI:27023
- p-toluenesulphonate
- 4-methylbenzene sulphonate
- p-toluene sulphonate
- p-toluene-sulphonate
- NS00131881
- 4-methylbenzenesulphonate
- 4-toluenesulphonate
- rho-toluene-sulphonate
- para-toluene sulphonate
- AMY2478
- JOXIMZWYDAKGHI-UHFFFAOYSA-M
- Q27109927
- tosylate
- p-toluensulfonate
- 4-methylphenylsulphonate
- 4-methyl-benzenesulfonate
- 16722-51-3
- 4-Toluenesulfonate
- Benzenesulfonic acid, 4-methyl-, ion(1-)
- paratoluene sulfonate
- racemic tosylate
- 4-Toluene sulfonic acid
- 4-methylbenzenesulfonic acid, ion(1-)
- AKOS015890572
- monotosylate
-
- Inchi： 1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)/p-1
- InChI Key： JOXIMZWYDAKGHI-UHFFFAOYSA-M
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)[O-]
Computed Properties
- Exact Mass: 171.01161
- Monoisotopic Mass: 171.012
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 193
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 65.6A^2
Experimental Properties
- Melting Point: 106-107 DEG C /ANHYDROUS/
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 57.2
Benzenesulfonic acid,4-methyl-, ion(1-) Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Acetone ; 2 h, 20 - 30 °C
1.2 4 h, 20 - 30 °C
1.2 4 h, 20 - 30 °C
Reference
Production Method 2
Reaction Conditions
1.1 Solvents: Dichloromethane ; 24 h, 50 °C
Reference
- Improved process for preparing suplatast tosilateLi, Zhiyu; Lu, Pingbo; Mo, Fenzhu; You, Qidong, Zhongguo Yaowu Huaxue Zazhi, 2009, 19(1), 45-47
Production Method 3
Reaction Conditions
1.1 20 °C → 60 °C; 20 - 24 h, 50 - 60 °C
Reference
- Preparation method of Suplatast tosilate and its intermediates, China, , ,
Production Method 4
Reaction Conditions
1.1 Solvents: Acetone ; 10 h, reflux; 3 h, cooled
Reference
- Synthesis of suplatast tosilateLi, Chungang; Liu, Ying; Liu, Yanmin; Jia, Zheng; Dong, Zhuo, Guangdong Yaoxueyuan Xuebao, 2009, 25(3), 278-280
Production Method 5
Reaction Conditions
Reference
- Method of evaluating evenness of suplatast tosylate crystal, even crystal, and process for producing the same, World Intellectual Property Organization, , ,
Production Method 6
Reaction Conditions
Reference
- Preparation of suplatast tosilate crystals, World Intellectual Property Organization, , ,
Production Method 7
Reaction Conditions
Reference
- Synthesis and Antiallergic Activity of Dimethyl-2-(phenylcarbamoyl)ethylsulfonium p-Toluenesulfonate DerivativesTada, Yukio; Yamawaki, Ichiro; Ueda, Shuichi; Matsumoto, Hiroshi; Matsuura, Naosuke; et al, Journal of Medicinal Chemistry, 1998, 41(18), 3330-3336
Production Method 8
Reaction Conditions
Reference
- Ideal enantiomeric resolution by recrystallization of a racemic compound (part 4): relationship between enantiomeric resolution phenomenon and crystal propertiesTamura, Rui; Ushio, Takanori; Takahashi, Hiroki; Nakamura, Kimitaka; Azuma, Nagao; et al, Chirality, 1997, 9(3), 220-224
Production Method 9
Reaction Conditions
Reference
- Sulfonium compounds and pharmaceuticals containing them, Federal Republic of Germany, , ,
Benzenesulfonic acid,4-methyl-, ion(1-) Raw materials
- Benzenesulfonic acid,4-methyl-, ion(1-)
- methyl 4-methylbenzene-1-sulfonate
- 3-dimethylsulfonio-propionic acid cation
- 4-(3-Ethoxy-2-hydroxypropoxy)aniline
- N-[4-(3-Ethoxy-2-hydroxypropoxy)phenyl]-3-(methylthio)propanamide
Benzenesulfonic acid,4-methyl-, ion(1-) Preparation Products
Benzenesulfonic acid,4-methyl-, ion(1-) Related Literature
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Christopher B. Smith,Mark A. Buntine,Stephen F. Lincoln,Kevin P. Wainwright Dalton Trans. 2003 3028
-
Marco Bortoluzzi,Mohammad Hayatifar,Fabio Marchetti,Guido Pampaloni,Stefano Zacchini Dalton Trans. 2014 43 10157
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Ricardo Alvarez,Philipp P. Nievergelt,Ekaterina Slyshkina,Peter Müller,Roger Alberto,Bernhard Spingler Dalton Trans. 2020 49 9632
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Guanglu Wu,Peter Verwilst,Kai Liu,Mario Smet,Charl F. J. Faul,Xi Zhang Chem. Sci. 2013 4 4486
-
Senthil Kannan,Anand Sekar,Kalainathan Sivaperuman J. Mater. Chem. C 2020 8 16668
16722-51-3 (Benzenesulfonic acid,4-methyl-, ion(1-)) Related Products
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- 3453-83-6(2,4,6-Trimethylbenzenesulfonic acid)
- 835617-36-2(Mesitylenesulfonic acid dihydrate)
- 25241-15-0(Benzenesulfonic acid,2,6-dimethyl-)
- 312619-56-0(3-Methylbenzenesulfonic Acid Monohydrate)
- 88-61-9(2,4-Xylenesulfonic Acid)
- 6192-52-5(p-Toluenesulfonic acid monohydrate)
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