4,6-Dichloro-2-(methylthio)pyrimidine
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4,6-Dichloro-2-(methylthio)pyrimidine
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CAS No:
6299-25-8
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Formula:
C5H4Cl2N2S
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Chemical Name:
4,6-Dichloro-2-(methylthio)pyrimidine
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Synonyms:
Pyrimidine,4,6-dichloro-2-(methylthio)-;4,6-Dichloro-2-(methylthio)pyrimidine;4,6-Dichloro-2-(methylmercapto)pyrimidine;2-Methylthio-4,6-dichloropyrimidine;4,6-Dichloro-2-(methylsulfanyl)pyrimidine;NSC 44560
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CAS No:
4,6-Dichloro-2-(methylthio)pyrimidine Basic Attributes
195.07
195.07
127664
228-577-6
2Q28U6BR6A
44560
DTXSID10212197
29335990
Characteristics
51.1
3
White to yellow or orange Powder or Crystals
1.5±0.1 g/cm3
39-40 °C
135-136 °C14 mm Hg(lit.)
>230 °F
1.612
Freezer
Safety Information
Ⅱ
8
UN 3263 8/PG 2
3
34-36/37
26-36/37/39-45
C
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P280-P305 + P351 + P338-P310
H314-H335
|Danger|H290 (65.44%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P320, P321, P330, P332+P313, P333+P313, P362, P363, P390, P391, P403+P233, P404, P405, and P501|Aggregated GHS information provided by 136 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4,6-Dichloro-2-(methylthio)pyrimidine Use and Manufacturing
Step b: 4, 6-Dichloro-2-methylsulfanyl-pyrimidine (19b) ; 2-Methylsulfanyl-pyrimidine-4, 6-diol (30.0 g, 189 mmol) was added slowly to phosphorus oxychloride (350 ml ) while cooling on ice then N, N-diethylaniline (52.5 ml) was added slowly while cooling. The mixture was slowly warmed till reflux and refluxed for 2.5 hours. The mixture was evaporated and added to crushed ice. The mixture was extracted three times with ethyl acetate and the combined organic layers were washed three times with water, once with brine and concentrated. Purification by column chromatography on silica gel eluted with hexane - ethyl acetate gave the title compound (36 g, 97percent).A solution of 2-methylthiopyrimidine-4, 6-diol (12.5 g, 79.11 mmol) in phosphorous oxychloride (60 ml) was heated to 105-110° C. for 6 hours. The phosphorous oxychloride was removed under reduced pressure to give a residue which was partitioned between dichloromethane and water. The organic layer was separated, dried and concentrated to give a residue. Purification was done by silica gel flash column chromatography (3percent ethyl acetate in hexane) to afford the desired product as a white solid (10 g, 65percent yield).
As a medicine and pesticide intermediate, it is used in the synthesis of salicylic acid pyrimidine herbicides.
Computed Properties
Molecular Weight:195.07
XLogP3:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:193.9472247
Monoisotopic Mass:193.9472247
Topological Polar Surface Area:51.1
Heavy Atom Count:10
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4,6-Dichloro-2-(methylthio)pyrimidine
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