4,6-Dimethyl-2-mercaptopyrimidine
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4,6-Dimethyl-2-mercaptopyrimidine
structure -
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CAS No:
22325-27-5
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Formula:
C6H8N2S
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Chemical Name:
4,6-Dimethyl-2-mercaptopyrimidine
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Synonyms:
2(1H)-Pyrimidinethione,4,6-dimethyl-;2-Pyrimidinethiol,4,6-dimethyl-;4,6-Dimethyl-2(1H)-pyrimidinethione;1,2-Dihydro-4,6-dimethylpyrimidine-2-thione;4,6-Dimethyl-2-pyrimidinethiol;4,6-Dimethyl-2-mercaptopyrimidine;2-Mercapto-4,6-dimethylpyrimidine;4,6-Dimethyl-2-pyrimidinethione;4,6-Dimethyl-2-pyrimidinylmercaptan;NSC 15491;NSC 314273;NSC 314274;2-Thio-4,6-dimethylpyrimidine;13139-97-4
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CAS No:
4,6-Dimethyl-2-mercaptopyrimidine Basic Attributes
140.21
140.21
81330
244-911-3
YGT3ZQ6LZP
15491
DTXSID70176867
2933599090
Safety Information
3
36/37/38
26-36
UW5650000
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (95.65%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4,6-Dimethyl-2-mercaptopyrimidine Use and Manufacturing
5 - ((4, 6-dimethyl-pyrimidin-2 -) sulfur methyl) - 1, 3, 4-oxadiazol-2-thiol can reference the literature (Tetrahedron., 2005, 61 (23): 5565) synthetic method: the thiourea (19g, 0.25mol), acetyl acetone (25.8 ml, 0 . 25mol), 125 ml of ethanol, into a reaction flask, water bath reflow 2h, slightly cooling, funnel instillment for 33.5 ml of concentrated hydrochloric acid, to continue to reflow heating, to get the yellow crystal filtering, desolvation, heating solution, dissolved with a 10percent NaOH solution to adjust the pH≈ 7 of, is cooling at room temperature, to be 4, 6-dimethyl pyrimidine-2-thiol: pale yellow needle crystal, yield 80.22percent, melting point 209-211° C (for fire 210 °C).19 g thiourea (0.25 mol), 25.8 mL of acetylacetone (0.25 mol) and 125 mL of ethanol. The reaction mixture was refluxed for 2 h in a water bath, and 33.5 mL of concentrated hydrochloric acid was added dropwise. The mixture was refluxed for 1 h. A small yellow crystal precipitation, filtration, desolvation, the crystal with 40 mL of water heating dissolved with 10percent NaOH solution to adjust the pH ≈ 7, a large number of pale yellow needle crystal precipitation, filtration, washing, vacuum drying the target product 1 (4, 6-dimethylpyrimidine-2-thiol). Yield 80.22percent, melting point 209 ~ 211.4, 6-dimethyl pyrimidine-2-thiol reference literature (Aust.J.Chem., 2007, 60:120) method to synthesize: the thiourea (19g, 0.25mol), acetyl acetone (25.8 ml, 0 . 25mol), 125 ml of ethanol, the solution is colorless, water bath heating reflux 2h, after slightly cooling, dropping funnel for dropping 33.5 ml of concentrated hydrochloric acid, to continue heating reflux 1h, TLC detection reaction end, placing sleepovers. With yellow tiny crystal precipitation, filtration, desolvation, for of the crystal 40 ml water heating is dissolved, is dissolved with a 10percent NaOH solution to adjust the pH≈ 7 of, is cooling at room temperature, filtered, washing with water, dried under vacuum to get the 4, 6-dimethyl pyrimidine-2-thiol: pale yellow needle crystal, yield 80.22percent.
Used in the synthesis of medicine and pesticide intermediates.
Computed Properties
Molecular Weight:140.21
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:140.04081944
Monoisotopic Mass:140.04081944
Topological Polar Surface Area:56.5
Heavy Atom Count:9
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4,6-Dimethyl-2-mercaptopyrimidine
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