Cas no 126230-72-6 (2-(Tert-butyl)pyrimidine-5-carbonitrile)
2-(Tert-butyl)pyrimidine-5-carbonitrile is a pyrimidine derivative featuring a tert-butyl substituent at the 2-position and a cyano group at the 5-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. The tert-butyl group enhances steric hindrance, influencing reactivity and selectivity in coupling reactions, while the electron-withdrawing nitrile group facilitates further functionalization. Its stable structure and well-defined reactivity make it suitable for applications in medicinal chemistry, where it can be used to construct heterocyclic scaffolds. The compound is typically handled under standard laboratory conditions, with purity and consistency being critical for reproducible results.
126230-72-6 structure
Product Name:2-(Tert-butyl)pyrimidine-5-carbonitrile
CAS No:126230-72-6
MF:C9H11N3
MW:161.203741312027
CID:2122323
Update Time:2025-06-07
2-(Tert-butyl)pyrimidine-5-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-tert-butylpyrimidine-5-carbonitrile
- 2-(TERT-BUTYL)PYRIMIDINE-5-CARBONITRILE
- 2-tert-butyl-5-cyanopyrimidine
- RVRWCGLEMLVCMS-UHFFFAOYSA-N
- 5-Pyrimidinecarbonitrile,2-(1,1-dimethylethyl)-
- 5-Pyrimidinecarbonitrile, 2-(1,1-dimethylethyl)-
- 2-(Tert-butyl)pyrimidine-5-carbonitrile
-
- Inchi： 1S/C9H11N3/c1-9(2,3)8-11-5-7(4-10)6-12-8/h5-6H,1-3H3
- InChI Key： RVRWCGLEMLVCMS-UHFFFAOYSA-N
- SMILES： N1C=C(C#N)C=NC=1C(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 188
- Topological Polar Surface Area: 49.6
2-(Tert-butyl)pyrimidine-5-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM312836-1g |
2-(tert-Butyl)pyrimidine-5-carbonitrile |
126230-72-6 | 95% | 1g |
$462 | 2021-08-18 | |
| Alichem | A089006453-250mg |
2-(Tert-butyl)pyrimidine-5-carbonitrile |
126230-72-6 | 95% | 250mg |
$205.92 | 2022-04-03 | |
| Alichem | A089006453-1g |
2-(Tert-butyl)pyrimidine-5-carbonitrile |
126230-72-6 | 95% | 1g |
$510.58 | 2022-04-03 | |
| Chemenu | CM312836-1g |
2-(tert-Butyl)pyrimidine-5-carbonitrile |
126230-72-6 | 95% | 1g |
$543 | 2023-02-03 |
2-(Tert-butyl)pyrimidine-5-carbonitrile Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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