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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Sulfonium,[3-[[4-(3-ethoxy-2-hydroxypropoxy)phenyl]amino]-3-oxopropyl]dimethyl-,salt with 4-methylbenzenesulfonic acid (1:1)

Cc1ccc(cc1)S(=O)(=O)[O-].CCOCC(COc1ccc(cc1)NC(=O)CC[S+](C)C)O Request for Quotation
Chemical Name: Sulfonium,[3-[[4-(3-ethoxy-2-hydroxypropoxy)phenyl]amino]-3-oxopropyl]dimethyl-,salt with 4-methylbenzenesulfonic acid (1:1)
CAS Number: 94055-76-2
Product Number: AG003UH5(AGN-PC-0W3NWR)
Synonyms:
MDL No:
Molecular Formula: C23H33NO7S2
Molecular Weight: 499.6406

Identification/Properties

Properties
MP:
84-87 °C
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
499.637g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
10
Exact Mass:
499.17g/mol
Monoisotopic Mass:
499.17g/mol
Topological Polar Surface Area:
134A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
500
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


Suplatast tosilate, also known by its chemical name 2-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]benzoic acid tosylate monohydrate, is a pharmaceutical compound primarily used for its immunomodulatory properties. However, in recent years, researchers have discovered its potential application in chemical synthesis.In chemical synthesis, Suplatast tosilate can serve as a versatile building block or reactant due to its stable structure and unique reactivity. Its functional groups, including a tosylate moiety and a carboxylic acid group, make it a valuable starting material for the preparation of various organic compounds. Suplatast tosilate can participate in a range of organic reactions, such as nucleophilic substitution, esterification, amidation, and more.Furthermore, the presence of the dioxane ring in Suplatast tosilate's structure can offer stereochemical control in certain reactions, leading to the formation of chiral molecules with high enantioselectivity. This feature makes it a useful molecule in the asymmetric synthesis of pharmaceuticals and other fine chemicals.Overall, the unique structural features and reactivity of Suplatast tosilate make it a promising candidate for application in chemical synthesis, offering a wide range of possibilities for the development of new compounds and materials.