Cas no 1308869-67-1 (4-chloro-6-neopentylpyrimidine)
4-Chloro-6-neopentylpyrimidine is a halogenated pyrimidine derivative characterized by its neopentyl substituent at the 6-position and a reactive chlorine atom at the 4-position. This structure imparts steric hindrance, enhancing stability while maintaining reactivity for further functionalization, making it a valuable intermediate in organic synthesis. The neopentyl group contributes to improved solubility in nonpolar solvents and may influence regioselectivity in subsequent reactions. Its chloro-pyrimidine core is amenable to nucleophilic substitution, enabling applications in pharmaceuticals, agrochemicals, and materials science. The compound’s defined reactivity profile and structural features make it suitable for constructing complex heterocyclic frameworks with precision.
1308869-67-1 structure
Product Name:4-chloro-6-neopentylpyrimidine
CAS No:1308869-67-1
MF:C9H13ClN2
MW:184.665920972824
CID:2124151
Update Time:2025-11-02
4-chloro-6-neopentylpyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-6-neopentylpyrimidine
- OYVAUQZDHLXSEX-UHFFFAOYSA-N
- Pyrimidine,4-chloro-6-(2,2-dimethylpropyl)-
- Pyrimidine, 4-chloro-6-(2,2-dimethylpropyl)-
- CID 86675783
-
- Inchi： 1S/C9H13ClN2/c1-9(2,3)5-7-4-8(10)12-6-11-7/h4,6H,5H2,1-3H3
- InChI Key： OYVAUQZDHLXSEX-UHFFFAOYSA-N
- SMILES： ClC1=CC(CC(C)(C)C)=NC=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 142
- Topological Polar Surface Area: 25.8
Experimental Properties
- Density: 1.084±0.06 g/cm3(Predicted)
- Boiling Point: 248.8±20.0 °C(Predicted)
- pka: 0.82±0.26(Predicted)
4-chloro-6-neopentylpyrimidine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C253281-100mg |
4-chloro-6-neopentylpyrimidine |
1308869-67-1 | 100mg |
$ 95.00 | 2022-04-01 | ||
| TRC | C253281-500mg |
4-chloro-6-neopentylpyrimidine |
1308869-67-1 | 500mg |
$ 320.00 | 2022-04-01 | ||
| TRC | C253281-1g |
4-chloro-6-neopentylpyrimidine |
1308869-67-1 | 1g |
$ 475.00 | 2022-04-01 | ||
| Life Chemicals | F1967-3862-0.25g |
4-chloro-6-neopentylpyrimidine |
1308869-67-1 | 95%+ | 0.25g |
$302.0 | 2023-09-06 | |
| Life Chemicals | F1967-3862-0.5g |
4-chloro-6-neopentylpyrimidine |
1308869-67-1 | 95%+ | 0.5g |
$318.0 | 2023-09-06 | |
| Life Chemicals | F1967-3862-1g |
4-chloro-6-neopentylpyrimidine |
1308869-67-1 | 95%+ | 1g |
$335.0 | 2023-09-06 | |
| Life Chemicals | F1967-3862-2.5g |
4-chloro-6-neopentylpyrimidine |
1308869-67-1 | 95%+ | 2.5g |
$670.0 | 2023-09-06 | |
| Life Chemicals | F1967-3862-5g |
4-chloro-6-neopentylpyrimidine |
1308869-67-1 | 95%+ | 5g |
$1005.0 | 2023-09-06 | |
| Life Chemicals | F1967-3862-10g |
4-chloro-6-neopentylpyrimidine |
1308869-67-1 | 95%+ | 10g |
$1407.0 | 2023-09-06 |
4-chloro-6-neopentylpyrimidine Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
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
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