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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)-

(S)-Methyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride

COC(=O)C[C@@H](c1ccc(cc1)Br)N.Cl Request for Quotation
Chemical Name: (S)-Methyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride
CAS Number: 1245606-63-6
Product Number: AG000M7B(AGN-PC-0WAM9B)
Synonyms:
MDL No: MFCD12911008
Molecular Formula: C10H13BrClNO2
Molecular Weight: 294.5727

Identification/Properties

Computed Properties
Molecular Weight:
294.573g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
292.982g/mol
Monoisotopic Mass:
292.982g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
191
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#:
-
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


(S)-Methyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride is a versatile compound widely utilized in chemical synthesis as a key building block in the production of pharmaceuticals, agrochemicals, and other fine chemicals. Its unique structure and properties make it an invaluable tool in the creation of complex organic molecules through various synthetic routes. The chirality of the compound, in the form of the (S)-enantiomer, is crucial in controlling the stereochemistry of the resulting products, ensuring high purity and desired biological activity. Its presence in asymmetric synthesis is particularly significant, enabling the selective formation of specific enantiomers necessary for drug development and other applications requiring optically pure compounds. In addition, (S)-Methyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride serves as a precursor for the synthesis of various amino acid derivatives, heterocyclic compounds, and advanced building blocks with diverse functionalities. Its contribution to chemical synthesis extends across a range of industries, highlighting its importance in the creation of innovative and high-value products.