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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)-

3-(Benzoylthio)-2-methylpropionic acid

CC(C(=O)O)CSC(=O)c1ccccc1 Request for Quotation
Chemical Name: 3-(Benzoylthio)-2-methylpropionic acid
CAS Number: 74431-50-8
Product Number: AG005XUN(AGN-PC-0WALK7)
Synonyms:
MDL No:
Molecular Formula: C11H12O3S
Molecular Weight: 224.2762

Identification/Properties

Properties
BP:
367.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
224.274g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
224.051g/mol
Monoisotopic Mass:
224.051g/mol
Topological Polar Surface Area:
79.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
234
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:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-(Benzoylthio)-2-methylpropanoic acid plays a crucial role in chemical synthesis as a versatile building block. Its unique structure incorporating a benzoylthio group and a methylpropanoic acid moiety allows for various functionalization reactions, making it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and advanced materials.One key application of 3-(Benzoylthio)-2-methylpropanoic acid is in the preparation of novel bioactive compounds. By selectively modifying the benzoylthio or methylpropanoic acid groups, chemists can tailor the molecular properties and biological activities of the resulting compounds. This versatility enables the creation of structurally diverse molecules with potential therapeutic benefits.Additionally, this compound serves as a pivotal component in the construction of complex organic frameworks. Its ability to participate in diverse chemical reactions, such as esterifications, acylations, and nucleophilic substitutions, allows for efficient elaboration of molecular structures. This versatility is especially advantageous in the synthesis of natural products and functional materials where precise control over molecular architecture is essential.Moreover, 3-(Benzoylthio)-2-methylpropanoic acid can act as a chiral auxiliary in asymmetric synthesis. By leveraging the stereochemistry of the molecule, chemists can introduce chirality into target molecules with high enantioselectivity. This application is particularly valuable in the pharmaceutical industry, where enantiopure compounds are crucial for drug efficacy and safety.In summary, the strategic incorporation of 3-(Benzoylthio)-2-methylpropanoic acid in chemical synthesis offers a wide array of opportunities for designing and accessing diverse chemical entities with tailored properties and applications. Its utility as a versatile building block underscores its significance in modern organic synthesis strategies.