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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)-

Butanoic acid, 2-bromo-3-methyl-, methyl ester

COC(=O)C(C(C)C)Br Request for Quotation
Chemical Name: Butanoic acid, 2-bromo-3-methyl-, methyl ester
CAS Number: 26330-51-8
Product Number: AG002SRW(AGN-PC-05RCY1)
Synonyms:
MDL No:
Molecular Formula: C6H11BrO2
Molecular Weight: 195.0543

Identification/Properties

Properties
BP:
177°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Refractive Index:
1.4530 (estimate)
Computed Properties
Molecular Weight:
195.056g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
193.994g/mol
Monoisotopic Mass:
193.994g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
101
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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


Methyl 2-bromoisovalerate is a versatile compound that plays a crucial role in chemical synthesis, particularly in the field of organic chemistry. This compound serves as a valuable building block for the preparation of various complex molecules through different synthetic pathways. One of the prominent applications of Methyl 2-bromoisovalerate is its utilization as a key intermediate in the synthesis of pharmaceuticals and agrochemicals. The presence of the bromo functionality in this compound allows for further derivatization through various coupling reactions, such as Suzuki coupling and Heck reaction, enabling the introduction of diverse chemical functionalities into the final product. Additionally, Methyl 2-bromoisovalerate can act as a precursor for the synthesis of polymers, providing controlled chain growth in radical polymerization processes. Its strategic placement within the molecular structure allows for precise control over the polymer's properties, including molecular weight and end-group functionality.Overall, Methyl 2-bromoisovalerate's versatility and reactivity make it an indispensable tool in the hands of synthetic chemists for the construction of complex organic molecules with precision and efficiency.