Oxazole-2-carbonitrile

Name: Oxazole-2-carbonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 68776-60-3
Cat. No. CS-0103521
Purity≥97%
MDL No.MFCD08669511

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Type	HazMat Fee
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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Structure of 68776-60-3

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General Information

CAS No. 68776-60-3
Cat. No. CS-0103521
Purity ≥97%
MDL No. MFCD08669511
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₂N₂O
Molecular Weight 94.07
Synonym(s) 2-OXAZOLECARBONITRILE
SMILES N#CC1=NC=CO1

Description

Oxazole-2-carbonitrile features a heterocyclic oxazole core with a nitrile group at the 2-position, conferring high electron-withdrawing character and enhanced reactivity in cross-coupling processes. This bench-stable scaffold integrates readily into complex molecular architectures, serving as a pivotal building block in medicinal chemistry and materials science applications.

Application

Oxazole-2-carbonitrile serves as a versatile heterocyclic building block in synthetic organic chemistry, enabling efficient access to oxazole-based scaffolds prevalent in pharmaceutical intermediates. Its nitrile group provides a handle for nucleophilic transformations and derivatization, while the oxazole ring offers stability and compatibility with diverse reaction conditions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in multi-step synthesis and medicinal chemistry campaigns.

Synthesis

Route1
- 884539-45-1
- ~74%
- In-stock
  
  68776-60-3
References
- PFIZER INC. Patent: WO2006/43145 A1, 2006 ; Location in patent: Page/Page column 131 ; WO 2006/043145 A1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2810
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H300-H311+H331
Precautionary Statements : P261-P264-P280

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Computational Chemistry Data

TPSA 49.82
LogP 0.54628
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Oxazole compounds

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Oxazole-2-carbonitrile

CAS No. 68776-60-3

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