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[ CAS No. 189333-03-7 ]

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2D
Chemical Structure| 189333-03-7
Chemical Structure| 189333-03-7
Structure of 189333-03-7 *Storage: {[proInfo.prStorage]}

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Product Details of [ 189333-03-7 ]

CAS No. :189333-03-7MDL No. :MFCD11223510
Formula : C14H26N2O2 Boiling Point : 354.1°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :254.37Pubchem ID :23435803
Synonyms :

Computed Properties of [ 189333-03-7 ]

TPSA : 41.6 H-Bond Acceptor Count : 3
XLogP3 : 1.8 H-Bond Donor Count : 1
SP3 : 0.93 Rotatable Bond Count : 2

Safety of [ 189333-03-7 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 189333-03-7 ]

  • Downstream synthetic route of [ 189333-03-7 ]

[ 189333-03-7 ] Synthesis Path-Downstream   1~6

YieldReaction ConditionsOperation in experiment
47% Step D The carbamate (825 mg) was dissolved in anhydrous CH2Cl2 (15 mL) under an argon atmosphere and cooled to -20 C. To this solution was added Et2N (1.23 mL) and then methanesulfonyl chloride (0.51 mL). The solution was stirred for 1 h, then poured into ice cold 1 Mcitric acid (40 mL). This mixture was washed with Et2O (4*30 mL). The combined organic washes were then 10 extracted with saturated NaHCO3 (1*30 mL), dried with MgSO4 and evaporated to give 604 mg (47% yield) of the di-mesylate intermediate which was used without further purification. MS(ES): (M+H)+=430
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  • [ 1095708-41-0 ]
  • [ 1095707-96-2 ]
YieldReaction ConditionsOperation in experiment
Step 10.3. 9-[3-(2-Methylpyrid-4-yl)-2-phenylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane A mixture of 0.80 g (2.5 mmol) of 6-chloro-2-phenyl-3-(2-methylpyrid-4-yl)imidazo[1,2-b]pyridazine and 2.2 g (7.5 mmol) of <strong>[189333-03-7]tert-butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate</strong> in 8 mL of pentanol is stirred at 150 C. for 40 hours. The mixture is then poured into 30 mL of aqueous 3N hydrochloric acid and stirred for 2 hours. The aqueous phase is washed with diethyl ether and then basified with aqueous ammonia. The product is then extracted with dichloromethane and the organic phase is dried over sodium sulfate and concentrated under reduced pressure to give 0.76 g of solid. The product is crystallized from 30 ml of acetonitrile to give 0.577 g of product after drying under reduced pressure. m.p.: 175-179 C. 1H NMR (CDCl3) delta: 8.50 (d; 1H), 7.75 (d, 1H), 7.65 (m, 2H), 7.50 (s, 1H), 7.30-7.45 (m, 4H), 6.90 (d, 1H), 3.50 (t, 4H), 2.85 (m, 2H), 2.75 (s, 2H), 2.55 (s, 3H), 1.6-1.75 (m, 6H) ppm.
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  • [ 1304821-29-1 ]
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  • [ 1618-36-6 ]
  • [ 1304723-69-0 ]
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  • [ 6921-22-8 ]
  • [ 1350918-44-3 ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 80℃; A mixture of difluoro nitrobenzene (188 mg, 1.18 mmol), amine int-19a, (300 mg, 1.18 mmol), and DIPEA (305 mg, 2.36 mmol) in acetonitrile (4 mL) was stirred at 80 C overnight. After cooling to room temperature, the mixture was diluted with ethyl acetate (30 mL), washed with water (10 mL) and brine (10 mL), dried over sodium sulfate, filtered, and the solvent removed in vacuo to give lnt-19b (470 mg, >99%) as an orange foam.
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