7-Bromo-2-phenylbenzo[d]oxazole

Name: 7-Bromo-2-phenylbenzo[d]oxazole
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CAS No. 1268137-13-8
Cat. No. CS-0227034
Molecule weight274.11
Purity≥98%
MDL No.None

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7-Bromo-2-phenylbenzo[d]oxazole|CS-0227034

Structure of 1268137-13-8

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General Information

CAS No. 1268137-13-8
Cat. No. CS-0227034
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₈BrNO
Molecular Weight 274.11
Synonym(s) 7-bromo-2-phenyl-Benzoxazole
SMILES BrC1=C(OC(C2=CC=CC=C2)=N3)C3=CC=C1

Description

7-Bromo-2-phenylbenzo[d]oxazole delivers a rigid, electron-deficient heteroaromatic scaffold ideal for constructing advanced materials and bioactive compounds. The bromine substituent enables efficient cross-coupling, while the phenyl group enhances π-conjugation and planarity. This compound exhibits excellent stability under standard conditions and facilitates modular synthesis in medicinal chemistry and organic electronics.

Application

7-Bromo-2-phenylbenzo[d]oxazole serves as a versatile building block for heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions to construct biaryl architectures. The bromine substituent provides high reactivity in Suzuki, Stille, and Negishi couplings, while the benzo[d]oxazole core offers excellent stability and functional group tolerance. This compound facilitates efficient access to complex scaffolds relevant to medicinal chemistry and materials science.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 26.03
LogP 4.2573
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzooxazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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7-Bromo-2-phenylbenzo[d]oxazole

CAS No. 1268137-13-8

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