6-Bromo-1,3-benzoxazole

Name: 6-Bromo-1,3-benzoxazole
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CAS No. 375369-14-5
Cat. No. CS-W002989
Purity≥97%
MDL No.MFCD03092891

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Structure of 375369-14-5

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General Information

CAS No. 375369-14-5
Cat. No. CS-W002989
Purity ≥97%
MDL No. MFCD03092891
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrNO
Molecular Weight 198.02
Synonym(s) 6-Bromobenzo[d]oxazole
SMILES BrC1=CC2=C(N=CO2)C=C1

Description

6-Bromo-1,3-benzoxazole is a halogenated heterocycle featuring a bromine atom at the 6-position of the benzoxazole core. This electron-deficient scaffold integrates readily into cross-coupling reactions and serves as a building block for bioactive molecules, pharmaceutical intermediates, and functional materials. The bromine moiety enables further diversification via palladium-catalyzed transformations.

Application

6-Bromo-1,3-benzoxazole serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. Its bromine substituent enables palladium-catalyzed cross-coupling reactions, facilitating the construction of biaryl and extended π-conjugated systems. The benzoxazole core exhibits excellent bench stability, tolerates diverse functional groups, and is readily incorporated into drug-like scaffolds through standard synthetic transformations.

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-H319
Precautionary Statements : P264-P270-P280-P301+P310-P305+P351+P338-P330-P337+P313-P501

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Computational Chemistry Data

TPSA 26.03
LogP 2.5903
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzooxazole compounds

Key Words

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6-Bromo-1,3-benzoxazole

CAS No. 375369-14-5

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