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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)-

Benzenepropanoic acid, a-hydroxy-b-methoxy-b-phenyl-, (aS)-

COC([C@@H](C(=O)O)O)(c1ccccc1)c1ccccc1 Request for Quotation
Chemical Name: Benzenepropanoic acid, a-hydroxy-b-methoxy-b-phenyl-, (aS)-
CAS Number: 178306-52-0
Product Number: AG0025XD(AGN-PC-0QBBHI)
Synonyms:
MDL No:
Molecular Formula: C16H16O4
Molecular Weight: 272.2958

Identification/Properties

Computed Properties
Molecular Weight:
272.3g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
272.105g/mol
Monoisotopic Mass:
272.105g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
298
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
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


(S)-2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid, also known as $name$, is a valuable compound in chemical synthesis due to its stereochemical properties and functional groups. In organic chemistry, this compound has found significant application as a chiral building block in the synthesis of various pharmaceuticals, agrochemicals, and materials.Its asymmetric carbon center gives rise to chirality, making it a crucial component in the preparation of enantiomerically pure compounds. (S)-2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid's ability to act as a chiral auxiliary or ligand in asymmetric synthesis reactions enables the selective formation of single enantiomers, which is essential in drug development and other industries where stereochemistry plays a vital role.Moreover, the presence of a hydroxyl group and a methoxy group in the molecule allows for versatile chemical transformations. These functional groups can participate in various reactions such as esterifications, etherifications, and nucleophilic substitutions, expanding the synthetic potential of (S)-2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid in designing complex molecules with specific stereochemical and structural requirements.