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Product Details of [ 50388-51-7 ]

CAS No. :50388-51-7 MDL No. :MFCD09869052
Formula : C10H16O3 Boiling Point : -
Linear Structure Formula :- InChI Key :SFXQJROVECIHKO-UHFFFAOYSA-N
M.W : 184.23 Pubchem ID :12441545
Synonyms :

Safety of [ 50388-51-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 50388-51-7 ]

* 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 [ 50388-51-7 ]
  • Downstream synthetic route of [ 50388-51-7 ]

[ 50388-51-7 ] Synthesis Path-Upstream   1~3

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YieldReaction ConditionsOperation in experiment
84%
Stage #1: With sodium hydride In tetrahydrofuran at 0℃; for 0.5 h;
Stage #2: at 0 - 80℃; for 3.5 h;
Example 8 l-(2-(bromomethyl)-4,4-dimethylcyclohex-l-enyl)-4-chlorobeπzene <n="44"/>ξ fTo a solution of 21 g of dimethyl carbonate (0.23 mol) in dry THF (400 ml) was added sodium hydride (9.6 g, 0.24 mol) by portion at 0 0C. The resulting mixture was stirred at 0 0C for 30 min and then was added a solution of 10 g of compound a (79 mmol) in THF (100 ml) dropwise over 30min. The resultant mixture was heated to 600C - 800C for 3h before cooled to room temperature. The reaction mixture was poured into saturated NaHCO3 solution and extracted with ether. The organic layer was washed with water, brine, dried over Na2SO4 and concentrated to give 25 g of of intermediate b methyl 5,5-dimethyl-2-oxocyclohexanecarboxylate (yield: 84percent). MS (ESI) m/e (M+H+): 185.
84%
Stage #1: With sodium hydride In tetrahydrofuran at 0℃;
Stage #2: at 60 - 80℃;
Stage #3: With water; sodium hydrogencarbonate In tetrahydrofuran
Example 3Preparation of 1 N- { 1- [ 4- (4 ' -Chloro-biphenyl-2-ylmethyl) - piperazin-1-yl] -quinazolin-4-yl}-4- ( (R) -3-dimethylamino-l- phenylsulfanylmethyl-propylamino) -3-nitro-benzenesulfonamide To a solution of 21 g of dimethyl carbonate (0.23 mol) in dry THF (400 ml) was added sodium hydride (9.6 g, 0.24 mol) by portion at 0 0C. The resulting mixture was stirred at 0 0C for 30 min and then was added a solution of 10 g of compound a (79 mmol) in THF (100 ml) dropwise over 30min. The resultant mixture was heated to 60 0C - 80 0C for 3h before cooled to room temperature. The reaction mixture was poured into saturated NaHCψ3 solution and extracted with ether. The organic layer was washed with water, brine, dried over Na2SO4 and concentrated to give 25 g of of intermediate b methyl 5, 5-dimethyl-2- oxocyclohexanecarboxylate (yield: 84percent) . MS (ESI) m/e (M+H+) : 185.
Reference: [1] Journal of Organic Chemistry, 1998, vol. 63, # 8, p. 2548 - 2559
[2] Canadian Journal of Chemistry, 1988, vol. 66, p. 2345 - 2347
[3] Canadian Journal of Chemistry, 1997, vol. 75, # 6, p. 742 - 753
[4] Patent: WO2008/61208, 2008, A2, . Location in patent: Page/Page column 42-43
[5] Patent: WO2009/143246, 2009, A2, . Location in patent: Page/Page column 210
[6] Journal of Medicinal Chemistry, 2016, vol. 59, # 20, p. 9431 - 9442
[7] Journal of Organic Chemistry, 1981, vol. 46, # 26, p. 5434 - 5436
[8] Angewandte Chemie - International Edition, 2003, vol. 42, # 24, p. 2785 - 2788
[9] Patent: US2010/184766, 2010, A1, . Location in patent: Page/Page column 46
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Reference: [1] Canadian Journal of Chemistry, 1997, vol. 75, # 6, p. 742 - 753
[2] Canadian Journal of Chemistry, 1988, vol. 66, p. 2345 - 2347
[3] Journal of Medicinal Chemistry, 2016, vol. 59, # 20, p. 9431 - 9442
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Reference: [1] Helvetica Chimica Acta, 1950, vol. 33, p. 1865,1869
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