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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)-

Benzeneacetic acid, a-amino-4-hydroxy-, methyl ester, hydrochloride,(aS)-

COC(=O)[C@H](c1ccc(cc1)O)N.Cl Request for Quotation
Chemical Name: Benzeneacetic acid, a-amino-4-hydroxy-, methyl ester, hydrochloride,(aS)-
CAS Number: 127369-30-6
Product Number: AG000WZZ(AGN-PC-0PIIKH)
Synonyms:
MDL No:
Molecular Formula: C9H12ClNO3
Molecular Weight: 217.6495

Identification/Properties

Computed Properties
Molecular Weight:
217.649g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
217.051g/mol
Monoisotopic Mass:
217.051g/mol
Topological Polar Surface Area:
72.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
176
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:
2
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

PNMR/S-METHYL_2-AMINO-2-4-HYDROXYPHEN-127369-30-6-HNMR.pdf

Other Analytical Data

POTHER/S-METHYL_2-AMINO-2-4-HYDROXYPHEN-127369-30-6-HPLC.pdf

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Chemical Structure


(S)-Methyl 2-amino-2-(4-hydroxyphenyl)acetate hydrochloride, also known as $name$, is a valuable compound in chemical synthesis. This compound plays a crucial role in asymmetric synthesis, particularly in the production of chiral molecules. By utilizing $name$ as a key building block, chemists can access enantiomerically pure materials that are essential in the pharmaceutical and agrochemical industries. The hydrochloride salt form of (S)-Methyl 2-amino-2-(4-hydroxyphenyl)acetate provides improved solubility and stability, making it a preferred choice for various synthetic transformations. Additionally, this compound serves as a versatile intermediate in the development of complex organic molecules with high optical purity, thus enabling the creation of new advanced materials and bioactive compounds.