Lot numbers can be found on the outside label of a product:
2-(Benzo[d]oxazol-2-yl)acetonitrile
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CAS No. 15344-56-6
- Cat. No. CS-0155908
- Purity≥98%
- MDL No.MFCD00160031
*For research and further manufacturing use only, not for direct human use.
![2-(Benzo[d]oxazol-2-yl)acetonitrile|CS-0155908](https://file.chemscene.com/productPIC/CS-0155908.gif)
Structure of 15344-56-6
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General Information
- CAS No. 15344-56-6
- Cat. No. CS-0155908
- Purity ≥98%
- MDL No. MFCD00160031
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₆N₂O
- Molecular Weight 158.16
- Synonym(s) 1,3-Benzoxazol-2-ylacetonitrile
- SMILES C1=CC=C2C(=C1)N=C(CC#N)O2
Description
2-(Benzo[d]oxazol-2-yl)acetonitrile features a rigid benzoxazole scaffold paired with a reactive nitrile group, enabling direct incorporation into heterocyclic architectures. This electron-deficient acetonitrile moiety facilitates efficient coupling reactions and serves as a key building block in medicinal chemistry and materials science applications.
Application
2-(Benzo[d]oxazol-2-yl)acetonitrile serves as a versatile building block for heterocyclic synthesis, enabling efficient access to benzoxazole derivatives via cyclization or functionalization. The nitrile group provides a robust handle for transformation, including hydrolysis to carboxylic acids or reduction to primary amines, while the benzo[d]oxazole core offers enhanced stability and π-conjugation. Its bench-stable nature and compatibility with standard coupling reactions facilitate straightforward purification and integration into medicinal chemistry workflows.
Synthesis
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Route1
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3815-12-1 - ~97%
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In-stock
15344-56-6
References
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Suresh, Dhanusu; Dhakshinamoorthy, Amarajothi; Pitchumani, Kasi Tetrahedron Letters, 2013 , vol. 54, # 48 p. 6415 - 6419
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Route2
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95-55-6 -
109-77-3
- ~70%
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In-stock
15344-56-6
References
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KINETEK PHARMACEUTICALS, INC. Patent: WO2004/11460 A2, 2004 ; Location in patent: Page 61-62 ; WO 2004/011460 A2
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Route3
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773837-37-9
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41014-43-1
- ~%
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In-stock
15344-56-6
References
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Ilkun, Olesya T.; Archibald, Stephen J.; Barnes, Charles L.; Gerasimchuk, Nikolay; Biagioni, Richard; Silchenko, Svitlana; Gerasimchuk, Olga A.; Nemykin, Victor N. Dalton Transactions, 2008 , # 42 p. 5715 - 5729
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P233-P260-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P340-P362-P403-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 49.82
- LogP 1.89388
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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