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[ CAS No. 153687-35-5 ]

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Chemical Structure| 153687-35-5
Chemical Structure| 153687-35-5
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CAS No. :153687-35-5 MDL No. :MFCD22201150
Formula : C12H12N2O2 Boiling Point : 399.7±27.0°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :216.24 g/mol Pubchem ID :15221332
Synonyms :

Safety of [ 153687-35-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 153687-35-5 ]

  • Upstream synthesis route of [ 153687-35-5 ]
  • Downstream synthetic route of [ 153687-35-5 ]

[ 153687-35-5 ] Synthesis Path-Upstream   1~5

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Reference: [1] Patent: WO2005/813, 2005, A1, . Location in patent: Page 36
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YieldReaction ConditionsOperation in experiment
35% With trichlorophosphate In DMF (N,N-dimethyl-formamide) at 20 - 95℃; for 16 h; 1H-PYRAZOLE-4-CARBALDEHYDE (55). To a solution of 1- (4-METHOXY-BENZYL)-1H- pyrazole (0.21 mol) (Synth. Commun. 1990, 20/18 ; 2849) in dry DMF (235 ml) was added POCL3 (1.5 eq. ) dropwise at room temperature. The mixture was then heated at 95°C for 16 hrs. After cooling to room temperature, the reaction mixture was neutralized by adding ice and saturated sodium carbonate solution. EtOAc (800 ml) was added and the organic layer was separated and washed several times with water. After drying (Na2SO4), the solvent was removed and the crude product was purified over silica gel to give 16.4 g (35percent yield) desired aldehyde 1-(4-METHOXY-BENZYL)-LH- pyrazole-4-carbaldehyde. It was heated with 150 ml TFA for 2 hrs. TFA was evaporated and the basified crude product was purified on silica gel to give 5.3 g of 55.
Reference: [1] Patent: WO2005/813, 2005, A1, . Location in patent: Page 36
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YieldReaction ConditionsOperation in experiment
93.3% With potassium carbonate In acetonitrile for 1 h; Reflux To a mixture of 1H-pyrazole-4-carbaldehyde (100 mg, 1.04 mmol) and 1- (chloromethyl)-4-methoxybenzene (162 mg, 1.04 mmol) in CH3CN (6 mL) was added potassium carbonate (287 mg, 2.08 mmol), the resulting mixture was stirred at reflux for 1 h. The mixture was poured into water (20 mL) and extracted with EtOAc (3×20 mL). The organic layer was dried over Na2SO4and concentrated to give 1-(4-methoxybenzyl)- 1H-pyrazole-4-carbaldehyde (220 mg, 93.3 percent) as a colorless oil
Reference: [1] Patent: KR2017/45749, 2017, A, . Location in patent: Paragraph 1087; 1090-1092
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Reference: [1] Journal of Heterocyclic Chemistry, 1993, vol. 30, # 4, p. 957 - 960
[2] Tetrahedron, 1995, vol. 51, # 16, p. 4779 - 4800
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Reference: [1] Journal of Heterocyclic Chemistry, 1993, vol. 30, # 4, p. 957 - 960
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