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[ CAS No. 2986-19-8 ] {[proInfo.proName]}

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Chemical Structure| 2986-19-8
Chemical Structure| 2986-19-8
Structure of 2986-19-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2986-19-8 ]

CAS No. :2986-19-8 MDL No. :MFCD00129752
Formula : C2H6N2S Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 90.15 Pubchem ID :-
Synonyms :

Safety of [ 2986-19-8 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P405 UN#:2811
Hazard Statements:H301-H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2986-19-8 ]

* 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 [ 2986-19-8 ]
  • Downstream synthetic route of [ 2986-19-8 ]

[ 2986-19-8 ] Synthesis Path-Upstream   1~18

  • 1
  • [ 10160-87-9 ]
  • [ 2986-19-8 ]
  • [ 823-09-6 ]
Reference: [1] Patent: US2455172, 1948, ,
[2] Patent: US2455172, 1948, ,
  • 2
  • [ 141-97-9 ]
  • [ 2986-19-8 ]
  • [ 6328-58-1 ]
Reference: [1] Journal of Medicinal Chemistry, 2015, vol. 58, # 7, p. 2967 - 2987
[2] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 22, p. 6439 - 6442
  • 3
  • [ 87-56-9 ]
  • [ 2986-19-8 ]
  • [ 61727-33-1 ]
Reference: [1] Synthetic Communications, 2007, vol. 37, # 13, p. 2231 - 2241
  • 4
  • [ 488-11-9 ]
  • [ 2986-19-8 ]
  • [ 50593-92-5 ]
Reference: [1] Synthetic Communications, 2007, vol. 37, # 13, p. 2231 - 2241
[2] Patent: WO2006/117368, 2006, A1, . Location in patent: Page/Page column 45-46
  • 5
  • [ 2986-19-8 ]
  • [ 1655-07-8 ]
  • [ 34170-21-3 ]
Reference: [1] Journal of Organic Chemistry, 1959, vol. 24, p. 922,924
[2] Journal of the Chemical Society, 1946, p. 362,365
  • 6
  • [ 2986-19-8 ]
  • [ 87-13-8 ]
  • [ 53554-29-3 ]
Reference: [1] Journal of the American Chemical Society, 1943, vol. 65, p. 350,352
  • 7
  • [ 2986-19-8 ]
  • [ 68-11-1 ]
  • [ 71-43-2 ]
  • [ 556-90-1 ]
Reference: [1] Annali di Chimica (Rome, Italy), 1953, vol. 43, p. 832,838
  • 8
  • [ 2986-19-8 ]
  • [ 68-11-1 ]
  • [ 71-43-2 ]
  • [ 74-93-1 ]
  • [ 556-90-1 ]
Reference: [1] Annali di Chimica (Rome, Italy), 1953, vol. 43, p. 832,838
  • 9
  • [ 85302-07-4 ]
  • [ 2986-19-8 ]
  • [ 21599-35-9 ]
YieldReaction ConditionsOperation in experiment
86% With sodium acetate In N,N-dimethyl-formamide at 100℃; for 5 h; Step 2: Synthesis of 2-(methylthio)-7,8-dihydroquinazolin-5(6H)-one. To a solution of 2-((dimethylamino)methylene)cyclohexane-l,3-dione (0.5 g, 2.9 mmol) in DMF (2mL) was added sodium acetate (0.39 g, 4.7 mmol) and methyl carbamimidothioate (0.9 g, 3.5 mmol). The reaction mixture was heated at 100 0C for 5 hours. On completion of the reaction, the reaction mixture was diluted with dichloromethane (30 mL). The organic layer was separated and washed with water (2 X 30 mL). The solvent was then removed under reduced pressure and the residue dissolved in EtOAc (50 mL) and washed with water (2 x 30 mL). The organic layer was dried using sodium sulfate and concentrated under reduced pressure to give the desired product (0.5 g, 86percent) as a solid. 1H NMR (CDCl3, 400MHz): δ 8.94 (s, IH), 3.01 (t, J = 6 Hz, 2H), 2.64 (t, J = 6.0 Hz, 2H), 2.58 (s, 3H), 2.14 (quintet, J = 6.2 Hz, 2H); LCSM [M+H]: 195.
Reference: [1] Patent: WO2010/78427, 2010, A1, . Location in patent: Page/Page column 224-225
  • 10
  • [ 104151-54-4 ]
  • [ 2986-19-8 ]
  • [ 1671-08-5 ]
YieldReaction ConditionsOperation in experiment
4.3 g With potassium hydroxide In water at 0 - 65℃; for 1.66667 h; A round bottom flask containing ethyl formate (6 mL, 0.062 mol) and ethyl ether (30 mL) was placed in an ice water bath, Na (1.4 g, 0.062 mol) was added under stirring, and then methyl 2-methoxyacetate (6.5 g, 0.062 mol) was added dropwise. The mixture was stirred at room temperaturefor 4 h. The reaction was quenched by addition of ice water (25 mL), and the aqueous phase was separated. To the water layer, S-methyl isothiourea (5.6 g, 0.062 mol) and KOH (2.2 g, 0.062 mol) were added within 40 min, and then heated to 65 °C for 1 h. After cooling, the reaction mixture was neutralized with 37percent HCl. The crude product was collected by vacuum filtration, and then recrystallized with 95percent ethanol to afford 2 as a white needle crystal (4.3 g, 40.1percent yield). m.p. 193-195 °C.The intermediate 2 (1.7 g, 0.01 mol) was added slowly into POCl3 (4.6 g, 0.03 mol) in ice-water bath, and then the mixture was heated to 80 °C for 1 h until the reaction was completed. The reaction mixture was cooled to room temperature and neutralized with 25percent ammonia water. The precipitated solid was filtered and recrystallized with petroleum ether, decolorized by activated carbon. The intermediate 3 was obtained as a light yellow solid (1.8 g, 95.2percent yield). m.p. 74-75 °C. The intermediate 3 was dissolved in methanol (10 mL), 50percent hydrated hydrazine solution (1.6 g, 0.015 mol) was added dropwise in an ice-water bath. Then the mixture was heated to 50 °C and monitored by TLC until the reaction was finished. After cooling, the solvent was removed under reduced pressure, and the solid was recrystallized from ethyl acetate and petroleum ether to afford 5-methoxy-2-(methylthio) pyrimidin-4-yl hydrazine (4, 1.1 g, 96.2percentyield). m.p. 112-114 °C.
Reference: [1] Letters in Drug Design and Discovery, 2016, vol. 13, # 4, p. 329 - 334
  • 11
  • [ 6290-49-9 ]
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  • [ 109-94-4 ]
  • [ 1671-08-5 ]
Reference: [1] Patent: WO2004/50640, 2004, A1, . Location in patent: Page 22
  • 12
  • [ 2986-19-8 ]
  • [ 94-05-3 ]
  • [ 89487-99-0 ]
YieldReaction ConditionsOperation in experiment
65% With potassium carbonate In ethanol for 48 h; Heating / reflux 2-Methyl-2-thiopseudourea (5 mmol) and ethyl ethoxymethylenecyanoacetate (5 mmol) were dissolved in 20 ml EtOH. To this was added K2CO3 (10 mmol). After the mixture was refluxed for 48 h, it was cooled to room temperature and filtered. The solvent was concentrated in vacuo and purified by column chromatography to give 4-hydroxy-2-(methylthio) pyrimidine-5-carbonitrile in a yield of 65percent.
Reference: [1] Patent: US2008/255172, 2008, A1, . Location in patent: Page/Page column 70
  • 13
  • [ 2986-19-8 ]
  • [ 92385-43-8 ]
  • [ 73781-88-1 ]
Reference: [1] Journal of medicinal chemistry, 2000, vol. 43, # 21, p. 3995 - 4004
  • 14
  • [ 2986-19-8 ]
  • [ 24697-74-3 ]
YieldReaction ConditionsOperation in experiment
17 g at 140℃; for 5 h; Take the mother herb (11g) dissolved150 mL of DMF was addedS-methylisothiourea sulfuric acid (50 g) was added to the mixture140 , reaction 5h,TLC tracking. Recovery solvent, add sodium chloride aqueous solution for salting out, and then alkalized with sodium bicarbonate, immediately a large number of crystal precipitation, put the refrigerator, filter ash to get purple crystal. The crystals were recrystallized from methanol to give 17 g of white crystals having a melting point of 214-215 ° C.
Reference: [1] Patent: CN106866464, 2017, A, . Location in patent: Paragraph 0066; 0067
  • 15
  • [ 24424-99-5 ]
  • [ 2986-19-8 ]
  • [ 107819-90-9 ]
Reference: [1] Patent: US6514964, 2003, B1,
  • 16
  • [ 67751-23-9 ]
  • [ 2986-19-8 ]
  • [ 180869-36-7 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 1998, vol. 8, # 22, p. 3111 - 3116
  • 17
  • [ 24424-99-5 ]
  • [ 2986-19-8 ]
  • [ 173998-77-1 ]
  • [ 322474-21-5 ]
YieldReaction ConditionsOperation in experiment
55% With triethylamine; sodium hydroxide In dichloromethane at 0℃; for 4 h; CH2Cl2 (5 ml) and triethylamine (TEA) (250 l, 1.79mmol) were added to a rapidly stirred solution of Smethylisothioureahemisulfate (500 mg, 3.59 mmol) inNaOH 1N (2.5 ml). The mixture was cooled to T=0°C on an ice bath, and a solution of di-tert-butyl dicarbonate (783.5mg, 3.59 mmol) in CH2Cl2 (2 ml) was added dropwise over 3h. Upon completion of the addition, the mixture was stirredan additional hour, diluted with 1 mL of CH2Cl2, and HCl 1Nwas added until pH 4. The organic layer was extracted withacidic water, and the aqueous layer was separated from theorganic phase and neutralized with NaOH 1N; CH2Cl2 (1 ml)was added and the aqueous phase was extracted twice. Theorganic layers were separated, dried over sodium sulfate,filtered and concentrated under reduced pressure. Diethylether was added and the solvent was evaporated under vacuumtwice. The compound purity was verified by HPLCanalysis as described above. The qualitative analysis of theproduct was finally confirmed by ESI-MS. The product wasthen used directly in the next step. (377 mg, 55 percent)1H NMR (200 MHz, DMSO-d6): 1.39 (s, 9H), 2.45 (s,3H).13C NMR (50 MHz, DMSO-d6): 13.8, 27.8, 79.2, 157.3,161.4.ESI-MS m/z =191 [M+H] +
Reference: [1] Medicinal Chemistry, 2018, vol. 14, # 4, p. 1 - 7
  • 18
  • [ 24424-99-5 ]
  • [ 2986-19-8 ]
  • [ 173998-77-1 ]
Reference: [1] ChemMedChem, 2011, vol. 6, # 9, p. 1727 - 1738
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