| Identification | More | [Name]
2,4-Dichloro-6-methylpyrimidine | [CAS]
5424-21-5 | [Synonyms]
2,4-DICHLORO-6-METHYLPYRIMIDINE
2,6-DICHLORO-4-METHYLPYRIMIDINE
AKOS BBS-00005839
2,4-dichloro-6-methyl-pyrimidin
2,4-DICHLORO-6-METHYLPYRIMIDE
2,4-Dichloro-6-methylpyrimidine ,99% | [EINECS(EC#)]
226-563-4 | [Molecular Formula]
C5H4Cl2N2 | [MDL Number]
MFCD00006064 | [Molecular Weight]
163 | [MOL File]
5424-21-5.mol |
| Chemical Properties | Back Directory | [Appearance]
White to Light Yellow Powder | [Melting point ]
44-47 °C (lit.) | [Boiling point ]
219 °C (lit.) | [density ]
1.5462 (rough estimate) | [refractive index ]
1.6300 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Inert atmosphere,2-8°C | [solubility ]
Chloroform (Very Slightly, Heated, Sonicated), DMSO (Sparingly, Heated) | [form ]
powder to crystal | [pka]
-2.12±0.30(Predicted) | [color ]
White to Orange to Green | [Water Solubility ]
Soluble in Chloroform, Ether, Ethyl Acetate and Toluene. Insoluble in water. | [Detection Methods]
GC,NMR | [BRN ]
114295 | [InChI]
InChI=1S/C5H4Cl2N2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3 | [InChIKey]
BTLKROSJMNFSQZ-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC(C)=CC(Cl)=N1 | [CAS DataBase Reference]
5424-21-5(CAS DataBase Reference) | [EPA Substance Registry System]
5424-21-5(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS05 | [Signal word ]
Danger | [Hazard statements ]
H314 | [Precautionary statements ]
P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 3263 8/PG 2
| [WGK Germany ]
3
| [Hazard Note ]
Corrosive | [TSCA ]
T | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29335900 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Eye Dam. 1
Skin Corr. 1B |
| Hazard Information | Back Directory | [Chemical Properties]
White to Light Yellow Powder | [Uses]
2,4-Dichloro-6-methylpyrimidine is used in the synthesis of (2-chloro-6-methyl-pyrimidin-4-yl)-(2,3-dihydro-benzothiazol-6-yl)-amine. | [General Description]
2,4-Dichloro-6-methylpyrimidine undergoes double cross-coupling reaction with 2-(tributylstannyl)pyridine, followed by aldol condensation to yield 4-arylvinyl-2,6-di(pyridin-2-yl)pyrimidines. It reacts with 1H,1H,2H,2H-perfluorodecanethiol during fluorous synthesis of disubstituted pyrimidines. | [Synthesis]
Step 1. 2,4-Dichloro-6-methylpyrimidine (166-01) was prepared from 6-methylpyrimidine-2,4-diol (500 mg, 3.97 mmol) by reacting with phosphoryl chloride (4 mL) according to the literature procedure 49-01 to afford 540 mg of white solid product in 84% yield. Mass spectral analysis showed m/z: 164.7 [M + H]+. | [References]
[1] Bioorganic and Medicinal Chemistry Letters, 2003, vol. 13, # 10, p. 1755 - 1757
[2] Molecules, 2012, vol. 17, # 4, p. 4533 - 4544
[3] Patent: WO2018/14802, 2018, A1. Location in patent: Paragraph 0472; 0473
[4] Organic and Biomolecular Chemistry, 2003, vol. 1, # 19, p. 3353 - 3361
[5] Journal of Heterocyclic Chemistry, 1987, vol. 24, # 1, p. 205 - 209 |
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