2-Chloro-4,6-dimethylpyrimidine
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2-Chloro-4,6-dimethylpyrimidine
structure -
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CAS No:
4472-44-0
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Formula:
C6H7ClN2
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Chemical Name:
2-Chloro-4,6-dimethylpyrimidine
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Synonyms:
Pyrimidine,2-chloro-4,6-dimethyl-;2-Chloro-4,6-dimethylpyrimidine;4,6-Dimethyl-2-chloropyrimidine;NSC 49016
- Categories:
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CAS No:
2-Chloro-4,6-dimethylpyrimidine Basic Attributes
142.59
142.59
XWF9HK9FMS
49016
DTXSID90196284
2933599090
Characteristics
25.8
2
White to yellow Powder, Crystalline Powder or Low Melting Solid
1,03g/cm
38 °C @ Solvent: Ligroine
100.0-102.5 °C @ Press: 13 Torr
110℃
1428
2-8°C
Safety Information
IRRITANT
UN 2265
20/21/22-36/37/38-22
26-36-37
UV8000000
Xi,Xn
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (84%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 50 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Chloro-4,6-dimethylpyrimidine Use and Manufacturing
The mixture of compound 2 (1998 mg, 12.44mmol) and phosphorus oxychloride (20 mL) was refluxed for 10 h. The remaining phosphorusoxychloride was evaporated to get a brown oil in the flask. The mixture was cooled in an icebath, and concentrated aqueous KOH solution was added dropwise cautiously with stirring, until the litmus paper showed pH value that is approximately 8. Diethyl ether (30 mL) wasadded, and the mixture was stirred for 2.5 h. The water layer was extracted with Et2O (3 × 30mL) and EtOAc (3 × 30 mL). The organic layers were combined, washed with brine, driedover Na2SO4, filtered and concentrated under reduced pressure. The resulting yellow liquidwas put in an ice bath under vacuum to afford compound 3 (1606 mg, 91percent yield) as yellowcrystals. 1H NMR (400 MHz, DMSO-d6) δ 7.33 (s, 1H), 2.42 (s, 6H).A mixture of 4, 6-dimethyl-2-hydroxypyrimidine hydrochloride (20.0 g, 0.125 mol) and phosphorous oxychloride (110 ml) was refluxed for 10 h after which time the residual phosphorous oxychloride was removed in vacuum. Reference Example 129: 2-Chloro-4, 6-dimethyl-pyrimidme. A suspension of 4, 6-dimethyl-lH-pyrimidin-2-one hydrochloride (3.0 g, 18.75 mmol) in dry POCl
Computed Properties
Molecular Weight:142.58
XLogP3:2
Hydrogen Bond Acceptor Count:2
Exact Mass:142.0297759
Monoisotopic Mass:142.0297759
Topological Polar Surface Area:25.8
Heavy Atom Count:9
Complexity:87.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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