[1,1'-Biphenyl]-4-carboxaldehyde, 3'-bromo-


Chemical Name: [1,1'-Biphenyl]-4-carboxaldehyde, 3'-bromo-
CAS Number: 400749-87-3
Product Number: AG00C74B(AGN-PC-0K4N0K)
Synonyms:
MDL No:
Molecular Formula: C13H9BrO
Molecular Weight: 261.1140

Identification/Properties


Computed Properties
Molecular Weight:
261.118g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
259.984g/mol
Monoisotopic Mass:
259.984g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
209
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

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



3'-Bromo-[1,1'-biphenyl]-4-carbaldehyde is a versatile compound widely used in chemical synthesis for its unique properties. This compound is employed as a key intermediate in the synthesis of various organic molecules due to its ability to undergo multiple reactions and functionalizations. In particular, 3'-Bromo-[1,1'-biphenyl]-4-carbaldehyde is frequently utilized in the development of new materials, pharmaceuticals, and agrochemicals.One of the primary applications of this compound is in the formation of complex heterocycles through various coupling reactions. Its reactive aldehyde group allows for the introduction of diverse functional groups, enabling the synthesis of a wide range of compounds with tailored properties. Additionally, the bromine atom in the 3' position facilitates cross-coupling reactions with different nucleophiles, leading to the creation of structurally diverse molecules.Furthermore, 3'-Bromo-[1,1'-biphenyl]-4-carbaldehyde is often utilized as a building block for the synthesis of ligands in coordination chemistry. Its biphenyl backbone provides a rigid structure that is crucial for the design of chiral ligands with high selectivity in asymmetric catalysis. By modifying the substituents on the biphenyl ring, chemists can fine-tune the steric and electronic properties of the ligands, thereby optimizing their catalytic performance.Overall, the strategic placement of the bromine and aldehyde functionalities in 3'-Bromo-[1,1'-biphenyl]-4-carbaldehyde makes it a valuable precursor for the synthesis of diverse compounds with applications across various fields of chemistry.