| Identification | More | [Name]
2,4-Dichloro-5-methoxypyrimidine | [CAS]
19646-07-2 | [Synonyms]
2,4-DICHLORO-5-METHOXYPYRIMIDINE
5-METHOXY-2,4-DICHLORO PYRIMIDINE
SPECS AO-324/25087002
2,4-AICHLORO-5-METHOXY PYRIMIDINE
2,4-Dichloro-5-methoxpyrimidine
2,4-DICHLORO-5-METHOXYPYRIMIDINE, 98+%
2,4-Dichloro-5-methoxypyrimidine | [EINECS(EC#)]
628-558-6 | [Molecular Formula]
C5H4Cl2N2O | [MDL Number]
MFCD02685670 | [Molecular Weight]
179 | [MOL File]
19646-07-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
66-70 °C | [Boiling point ]
259.9±20.0 °C(Predicted) | [density ]
1.446±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
-2.67±0.29(Predicted) | [color ]
White to Almost white | [Water Solubility ]
Slightly soluble in water. | [InChI]
InChI=1S/C5H4Cl2N2O/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3 | [InChIKey]
ZTHHRSBDBPCCMZ-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC=C(OC)C(Cl)=N1 | [CAS DataBase Reference]
19646-07-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS05,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H302-H315-H318-H335 | [Precautionary statements ]
P261-P264-P280-P301+P312-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi,C,Xn | [Risk Statements ]
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection . | [WGK Germany ]
3 | [Hazard Note ]
Harmful | [HazardClass ]
IRRITANT, CORROSIVE | [HS Code ]
29335990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
2,4-Dichloro-5-methoxypyrimidine can be used for preparation of heteroarylpiperazine derivatives for use in treatment of Alzheimer's disease.
| [Synthesis]
The general procedure for the synthesis of 2,4-dichloro-5-methoxypyrimidines from 5-methoxy-2,4-dihydroxypyrimidines was as follows: 5-methoxy-2,4-dihydroxypyrimidines (45 g, 0.316 mol), phosphorus trichloride (225 mL, 0.88 mol), and N,N-dimethylaniline (45 mL, 0.391 mol) were mixed, and the reaction was carried out at reflux for 2 hours. After completion of the reaction, the mixture was quenched by slowly pouring it into crushed ice (80 g). The product was extracted with ether and subsequently purified by recrystallization from light petroleum ether (boiling point: 40-60 °C) to afford 2,4-dichloro-5-methoxypyrimidine (43 g, 75% yield). Results of mass spectrometry analysis: (ES+) m/z 179 [M+H]+. | [References]
[1] Journal of Organic Chemistry, 2011, vol. 76, # 10, p. 4149 - 4153
[2] Patent: WO2011/144577, 2011, A1. Location in patent: Page/Page column 24
[3] Patent: WO2011/80568, 2011, A2. Location in patent: Page/Page column 109-110
[4] Patent: WO2011/144578, 2011, A1. Location in patent: Page/Page column 26; 27 |
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