1,1'-([1,1'-biphenyl]-4,4'-diyl)bis(2-bromoethan-1-one)

Name: 1,1'-([1,1'-biphenyl]-4,4'-diyl)bis(2-bromoethan-1-one)
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CAS No. 4072-67-7
Cat. No. CS-0664804
Molecule weight396.07
Purity≥96%
MDL No.MFCD00017877

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1,1'-([1,1'-biphenyl]-4,4'-diyl)bis(2-bromoethan-1-one)|CS-0664804

Structure of 4072-67-7

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General Information

CAS No. 4072-67-7
Cat. No. CS-0664804
Purity ≥96%
MDL No. MFCD00017877
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₁₂Br₂O₂
Molecular Weight 396.07
Synonym(s) None
SMILES C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)CBr)C(=O)CBr

Description

This bifunctional bromoketone features two reactive 2-bromoethan-1-one groups flanking a central biphenyl core, enabling efficient coupling in cross-coupling and conjugation workflows. The electron-deficient aryl backbone enhances stability under standard conditions while maintaining high reactivity at the halogen sites.

Application

1,1'-([1,1'-biphenyl]-4,4'-diyl)bis(2-bromoethan-1-one) serves as a versatile bifunctional electrophile in cross-coupling and heterocycle synthesis. Its dual bromoacetyl groups enable efficient derivatization at both ends of the biphenyl scaffold, facilitating C–C bond formation under palladium catalysis. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for constructing complex aromatic architectures in medicinal chemistry and materials science applications.

Safety Information

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GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3261
Class : 8	Packing Group : Ⅱ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

TPSA 34.14
LogP 4.5088
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1,1'-([1,1'-biphenyl]-4,4'-diyl)bis(2-bromoethan-1-one)

CAS No. 4072-67-7

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