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[ CAS No. 953045-35-7 ] {[proInfo.proName]}

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Chemical Structure| 953045-35-7
Chemical Structure| 953045-35-7
Structure of 953045-35-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 953045-35-7 ]

CAS No. :953045-35-7 MDL No. :MFCD30541471
Formula : C8H9ClN2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 168.62 Pubchem ID :-
Synonyms :

Safety of [ 953045-35-7 ]

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 [ 953045-35-7 ]

* 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.

  • Downstream synthetic route of [ 953045-35-7 ]

[ 953045-35-7 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 953045-35-7 ]
  • [ 71597-85-8 ]
  • [ 1171244-87-3 ]
YieldReaction ConditionsOperation in experiment
87% With sodium carbonate;bis-triphenylphosphine-palladium(II) chloride; In water; isopropyl alcohol; at 100℃; for 16h; Step 2: (R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (137 mg, 0.812 mmol) and 4-hydroxybenzeneboronic acid (123 mg, 0.894 mmol) was dissolved in isopropyl alcohol (1.6 mL). Sodium carbonate in water (0.97 mL, 1.0M) was added slowly, followed by bis(triphenylphosphine)palladium chloride (26.5 mg, 0.0378 mmol). The mixture was stirred at 100°C (bath) for 16 hours. The contents were diluted with water (5 mL) and EtOAc (10 mL). The aqueous layer was separated and extracted with EtOAc (2 X 5 mL). The combined EtOAc solutions were washed with brine (5 mL) and dried (Na2SO4). The crude was purified by flash chromatography to give (R)-4-(5-methyl-6,7-dihydro-5H- cyclopenta[d]pyrimidin-4-yl)phenol (160 mg, 87percent) as viscous oil which solidified upon standing.
  • 2
  • [ 637362-21-1 ]
  • [ 953045-35-7 ]
  • [ 1172587-83-5 ]
YieldReaction ConditionsOperation in experiment
71% With caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In toluene at 100℃; for 4h; 1.8 Step 8: A pear-shaped flask was charged with Pd(OAc)2 (2.1 mg, 0.0093 mmol) and 9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene (8.1 mg, 0.014 mmol) and purged with nitrogen. To the flask was added (R)-4-chloro-5-methyl-6,7-dihydro-5H- cyclopenta[d]pyrimidine (19 mg, 0.11 mmol), tert-butyl 5-chlorospiro[indoline-3,4'- piperidinej-l'-carboxylate (30 mg, 0.093 mmol), Cs2CO3 (45 mg, 0.14 mmol) and toluene (0.9 mL). The mixture was heated at about 100 0C for 4 hours. After cooling to about room temperature, the reaction was diluted with EtOAc, filtered through CELITE (Celite Corp., Santa Barbara, CA), and concentrated. The crude product was purified by column chromatography (hexanes:EtOAc, 5:1 to 3:1) to give (R)-tert-butyl 5-chloro-l-(5-methyl-6,7- dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[indoline-3,4'-piperidine]-l '-carboxylate as an oil (30 mg, 71%). LCMS (APCI+) m/z 455, 457 [M+H]+; Rt = 4.14 min.
  • 4
  • [ 123-29-5 ]
  • [ 953045-35-7 ]
  • 5
  • [ 953045-35-7 ]
  • [ 1001264-89-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 7 steps 1.1: 3-chloro-benzenecarboperoxoic acid / chloroform / 48 h / 20 °C 1.2: 0.33 h / 0 °C 2.1: 2 h / 110 °C 3.1: 1-methyl-pyrrolidin-2-one / 12 h / 110 °C 4.1: lithium hydroxide; water / tetrahydrofuran / 6 h / 20 °C 5.1: hydrogenchloride / 1,4-dioxane / 20 h / 20 °C 6.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0.17 h / 20 °C 6.2: 1 h / 20 °C 7.1: hydrogenchloride / 1,4-dioxane / 20 °C
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