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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)-

methyl 3-bromo-4-oxocyclopentanecarboxylate

COC(=O)C1CC(=O)C(C1)Br Request for Quotation
Chemical Name: methyl 3-bromo-4-oxocyclopentanecarboxylate
CAS Number: 1004764-65-1
Product Number: AG019F2A(AGN-PC-0WOLB3)
Synonyms:
MDL No:
Molecular Formula: C7H9BrO3
Molecular Weight: 221.0486

Identification/Properties

Computed Properties
Molecular Weight:
221.05g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
219.97351g/mol
Monoisotopic Mass:
219.97351g/mol
Topological Polar Surface Area:
43.4Ų
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
190
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 3-bromo-4-oxocyclopentanecarboxylate is a versatile compound that plays a crucial role in chemical synthesis, particularly in the field of organic chemistry. This compound is commonly used as a key building block in the synthesis of various pharmaceuticals, agrochemicals, and fine chemicals due to its unique structural properties.In chemical synthesis, Methyl 3-bromo-4-oxocyclopentanecarboxylate serves as a valuable intermediate for the preparation of complex molecules. Its functional groups enable efficient derivatization, allowing for the introduction of diverse substituents and enabling the creation of structurally intricate compounds. Additionally, the presence of the bromo and ester groups provides synthetic versatility, facilitating further transformations through a variety of reactions such as nucleophilic substitution, reduction, and cross-coupling reactions.Furthermore, the cyclopentanone core of Methyl 3-bromo-4-oxocyclopentanecarboxylate imparts rigidity and stereochemical control to the synthesized molecules, making it a valuable scaffold for designing chirally pure compounds. This structural feature is particularly advantageous in the synthesis of biologically active molecules where stereochemistry plays a critical role in determining pharmacological activity and selectivity.Overall, the application of Methyl 3-bromo-4-oxocyclopentanecarboxylate in chemical synthesis underscores its importance as a key reagent for constructing complex organic molecules with precise control over functionality and stereochemistry.