2-Propenoic acid, 3,3-dibromo-


Chemical Name: 2-Propenoic acid, 3,3-dibromo-
CAS Number: 1578-21-8
Product Number: AG00AZCP(AGN-PC-00LP0D)
Synonyms:
MDL No:
Molecular Formula: C3H2Br2O2
Molecular Weight: 229.8548

Identification/Properties


Computed Properties
Molecular Weight:
229.855g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
229.84g/mol
Monoisotopic Mass:
227.842g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
104
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



3,3-Dibromoprop-2-enoic acid, also known as DBPA, is a versatile compound widely utilized in chemical synthesis. This compound plays a crucial role in various reactions due to its unique properties. In organic chemistry, 3,3-Dibromoprop-2-enoic acid is often employed as a key building block for the synthesis of complex molecules.One important application of 3,3-Dibromoprop-2-enoic acid is in the preparation of alkenes through the Heck reaction. This palladium-catalyzed coupling reaction allows for the formation of carbon-carbon bonds, with DBPA serving as a valuable substrate in this process. Additionally, the presence of bromine atoms in DBPA enables further functionalization, facilitating the creation of diverse chemical structures.Furthermore, 3,3-Dibromoprop-2-enoic acid can be used in the synthesis of pharmaceutical compounds. Its ability to undergo various transformations makes it an essential intermediate in the production of drug candidates and active pharmaceutical ingredients. By incorporating DBPA into the synthetic route, chemists can access new pathways to desired molecules with enhanced efficiency and selectivity.Overall, 3,3-Dibromoprop-2-enoic acid is a versatile compound with broad applications in chemical synthesis, particularly in the construction of complex organic molecules and pharmaceutical agents. Its role as a key building block underscores its importance in modern synthetic chemistry.