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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)-

Propanoic acid, 3-bromo-2-methyl-, methyl ester, (2S)-

C[C@@H](C(=O)OC)CBr Request for Quotation
Chemical Name: Propanoic acid, 3-bromo-2-methyl-, methyl ester, (2S)-
CAS Number: 98190-85-3
Product Number: AG003RJ5(AGN-PC-0OOTYW)
Synonyms:
MDL No:
Molecular Formula: C5H9BrO2
Molecular Weight: 181.02776

Identification/Properties

Properties
BP:
173.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.455(lit.)
Computed Properties
Molecular Weight:
181.029g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
179.979g/mol
Monoisotopic Mass:
179.979g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
82.5
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:
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


Methyl (S)-3-bromo-2-methylpropanoate is a valuable intermediate in chemical synthesis due to its versatile reactivity and chiral nature. Its unique structure allows it to participate in a variety of reactions to generate complex molecules with specific stereochemistry. In organic synthesis, this compound serves as a key building block for the preparation of chiral pharmaceuticals, agrochemicals, and fine chemicals. By incorporating Methyl (S)-3-bromo-2-methylpropanoate into a synthetic pathway, chemists can control the stereochemistry of the final product, enabling the production of enantiomerically pure compounds with enhanced biological activity or tailored physical properties. This compound's application extends to the synthesis of natural products, functional materials, and advanced intermediates, highlighting its importance in modern chemical research and development.