1-(Benzo[d]oxazol-2-yl)ethanone

Name: 1-(Benzo[d]oxazol-2-yl)ethanone
Brand: ChemScene
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CAS No. 122433-29-8
Cat. No. CS-W019416
Purity≥97%
MDL No.MFCD00223823

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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1-(Benzo[d]oxazol-2-yl)ethanone|CS-W019416

Structure of 122433-29-8

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Description

1-(Benzo[d]oxazol-2-yl)ethanone features a rigid benzoxazole core fused to a ketone-functionalized ethyl side chain, enabling direct integration into heterocyclic scaffolds. This bench-stable, moisture-tolerant building block facilitates efficient C–C bond formation and serves as a key intermediate in the synthesis of bioactive compounds.

Application

1-(Benzo[d]oxazol-2-yl)ethanone serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the benzo[d]oxazole core. Its acetyl group facilitates electrophilic substitution and transition-metal-catalyzed coupling reactions, while maintaining stability under standard synthetic conditions. The molecule functions effectively in the synthesis of bioactive heterocycles and provides a robust scaffold for structure-activity studies.

General Information

CAS No. 122433-29-8
Cat. No. CS-W019416
Purity ≥97%
MDL No. MFCD00223823
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇NO₂
Molecular Weight 161.16
Synonym(s) Ethanone, 1-(2-benzoxazolyl)- (9CI)
SMILES O1C2=C(N=C1C(C)=O)C=CC=C2

Computational Chemistry Data

TPSA 43.1
LogP 2.0304
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Safety Information

Download SDS

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzooxazole compounds

Key Words

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1-(Benzo[d]oxazol-2-yl)ethanone

CAS No. 122433-29-8

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