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[ CAS No. 55084-66-7 ] {[proInfo.proName]}

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Chemical Structure| 55084-66-7
Chemical Structure| 55084-66-7
Structure of 55084-66-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 55084-66-7 ]

CAS No. :55084-66-7 MDL No. :MFCD12545984
Formula : C6H4Cl2N2OS Boiling Point : -
Linear Structure Formula :- InChI Key :NMFCRGDGVPCDHH-UHFFFAOYSA-N
M.W : 223.08 Pubchem ID :18969078
Synonyms :

Safety of [ 55084-66-7 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:1759
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 55084-66-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 55084-66-7 ]
  • Downstream synthetic route of [ 55084-66-7 ]

[ 55084-66-7 ] Synthesis Path-Upstream   1~3

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YieldReaction ConditionsOperation in experiment
97% With thionyl chloride In N,N-dimethyl-formamide for 1 h; Heating / reflux A slurry of potassium trimethylsilyl oxide (90percent tech., 40 g, 0.31 mol) in 1,2-dimethoxyethane (300 mL) was added, slowly over 20 min, to a solution of ethyl-4-chloro-2-methylthio-5-pyrimidinecarboxylate (Aldrich, 15 g, 64 mmol) in 1,2-dimethoxyethane (100 mL). Said addition, being mildly exothermic, may warrant the use of an ice bath to maintain ambient temperature conditions during addition. After addition was complete, the resulting suspension was stirred at ambient temperature for 1 h, then warmed to reflux for 36 h, then allowed to cool to ambient temperature. Reaction mixture was quenched with 1 M HCl(aq), then extracted with ethyl acetate and dried using sodium sulfate to produce a crude solid (11 g). Said crude solid was then recrystallized in ethyl acetate to afford 4-hydroxy-2-methylsulfanylpyrimidine-5-carboxylic acid as a white solid (8.8 g, 47 mmol, 73percent yield). MS (-ESI) m/z 185 (M-, 100). An aliquot of this material (3.00 g, 16.1 mmol) was diluted with thionyl chloride (90 mL) followed by DMF (0.20 mL) and the resulting solution was warmed to reflux. After 1 hour at reflux, the solution was allowed to cool to ambient temperature and was concentrated in vacuo to afford a beige solid which was triturated once from hot toluene and then once again from hot hexanes (i.e., in both instances the soluble material was the desired fraction). This afforded, after concentration in vacuo, the titled compound as a white solid (3.90 g, 15.6 mmol, 97percent yield). 1H NMR (300 MHz, CDCl3) δ 9.15 (s, 1H), 2.63 (s, 3H).
Reference: [1] Patent: US7176310, 2007, B1, . Location in patent: Page/Page column 48
[2] Patent: US2014/275023, 2014, A1, . Location in patent: Paragraph 0290; 0291
[3] Patent: WO2015/61247, 2015, A2, . Location in patent: Paragraph 00618
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Reference: [1] Patent: CN107312012, 2017, A, . Location in patent: Paragraph 0026-0027
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Reference: [1] Patent: US2014/275023, 2014, A1,
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