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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-, methyl ester, (aS)-

COC(=O)[C@H](Cc1ccccc1)O Request for Quotation
Chemical Name: Benzenepropanoic acid, a-hydroxy-, methyl ester, (aS)-
CAS Number: 13673-95-5
Product Number: AG0038AQ(AGN-PC-0PL2EN)
Synonyms:
MDL No: MFCD00038224
Molecular Formula: C10H12O3
Molecular Weight: 180.2005

Identification/Properties

Computed Properties
Molecular Weight:
180.203g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
180.079g/mol
Monoisotopic Mass:
180.079g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
162
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl-(2S)-2-hydroxy-3-phenylpropanoate is a valuable compound in chemical synthesis due to its ability to serve as a versatile building block for the creation of various pharmaceuticals and fine chemicals. As a chiral molecule, it plays a crucial role in the asymmetric synthesis of complex organic molecules, enabling the formation of enantiomerically pure products. Its unique structure containing a hydroxy and phenyl group allows for functional group manipulation through different chemical reactions, such as esterification, reduction, and nucleophilic additions. This compound is particularly useful in the development of new drugs, agrochemicals, and specialty chemicals where chirality and specific functional groups are essential for their biological activity or performance. Its application in chemical synthesis offers a pathway to access diverse molecular architectures with precise stereochemical control, making it a valuable tool for synthetic chemists in the design and production of novel compounds.