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[ CAS No. 100382-00-1 ]

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Chemical Structure| 100382-00-1
Chemical Structure| 100382-00-1
Structure of 100382-00-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 100382-00-1 ]

CAS No. :100382-00-1 MDL No. :MFCD17252689
Formula : C13H10N2O Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :210.23 g/mol Pubchem ID :-
Synonyms :

Safety of [ 100382-00-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 100382-00-1 ]

  • Downstream synthetic route of [ 100382-00-1 ]

[ 100382-00-1 ] Synthesis Path-Downstream   1~16

  • 1
  • [ 100382-00-1 ]
  • [ 100-58-3 ]
  • [ 1078734-11-8 ]
YieldReaction ConditionsOperation in experiment
77% In tetrahydrofuran at -30 - 20℃; for 5h;
  • 2
  • [ 2683-66-1 ]
  • [ 7677-24-9 ]
  • [ 100382-00-1 ]
YieldReaction ConditionsOperation in experiment
86.8% With N,N-Dimethylcarbamoyl chloride In dichloromethane at 0 - 20℃; 2 Step 2: 4-(benzyloxy)picolinonitrile To a solution of 4-(benzyloxy)pyridine 1-oxide (2.68 g, 13.3 mmol) in dichloromethane (15 mL) was added trimethylsilyl cyanide (2.0 mL, 15.7 mmol), followed by drop-wise addition of a solution of dimethylcarbamic chloride (1.5 mL, 15,733 mmol) indichloromethane (5 mL) at 0°C. The reaction was stirred at room temperature overnight. Aqueous sodium bicarbonate solution (15 mL, 10% wt) was added, and the mixture was stirred for 20 mm. The resulting mixture was extracted with dichloromethane, and the combined organic layers was washed with brine, dried over Na2504 and concentrated under reduced pressure to give 4-(benzyloxy)picolinonitrile (2.43 g, 86.8% yield) as a white solid. LC-MS(ESI) found: 211 [M+Hj
84% With N,N-diethylcarbamoyl chloride In dichloromethane at 5 - 20℃; for 12h;
  • 3
  • [ 100382-00-1 ]
  • [ 100-58-3 ]
  • [ 1078734-06-1 ]
YieldReaction ConditionsOperation in experiment
80% Stage #1: 4-(benzyloxy)picolinonitrile; phenylmagnesium bromide In tetrahydrofuran; diethyl ether at -78℃; for 1h; Stage #2: With hydrogenchloride In tetrahydrofuran; diethyl ether for 12h; General Procedures for Synthesis of 9a-d General procedure: To a THF solution of 4-(benzyloxy)picolinonitrile 8 (1.0 eq) was added ArMgBr (1.0 M in Et2O, 1.0 eq) at -78 °C. After stirring for 1 h, the reaction mixture was quenched with 6 N HCl, and stirred for 12 h. The organic phase was washed with brine, dried over MgSO4 and concentrated in vacuo. The residue was purified by column chromatography (EtOAc/hexanes) to afford the ketone 9.
  • 4
  • [ 100382-00-1 ]
  • [ 352-13-6 ]
  • [ 1649982-96-6 ]
YieldReaction ConditionsOperation in experiment
Stage #1: 4-(benzyloxy)picolinonitrile; 4-flourophenylmagnesium bromide In tetrahydrofuran; diethyl ether at -78℃; for 1h; Stage #2: With hydrogenchloride In tetrahydrofuran; diethyl ether for 12h; General Procedures for Synthesis of 9a-d General procedure: To a THF solution of 4-(benzyloxy)picolinonitrile 8 (1.0 eq) was added ArMgBr (1.0 M in Et2O, 1.0 eq) at -78 °C. After stirring for 1 h, the reaction mixture was quenched with 6 N HCl, and stirred for 12 h. The organic phase was washed with brine, dried over MgSO4 and concentrated in vacuo. The residue was purified by column chromatography (EtOAc/hexanes) to afford the ketone 9.
  • 5
  • [ 100382-00-1 ]
  • [ 873-77-8 ]
  • [ 1649982-97-7 ]
YieldReaction ConditionsOperation in experiment
Stage #1: 4-(benzyloxy)picolinonitrile; (4-chlorphenyl)magnesium bromide In tetrahydrofuran; diethyl ether at -78℃; for 1h; Stage #2: With hydrogenchloride In tetrahydrofuran; diethyl ether for 12h; General Procedures for Synthesis of 9a-d General procedure: To a THF solution of 4-(benzyloxy)picolinonitrile 8 (1.0 eq) was added ArMgBr (1.0 M in Et2O, 1.0 eq) at -78 °C. After stirring for 1 h, the reaction mixture was quenched with 6 N HCl, and stirred for 12 h. The organic phase was washed with brine, dried over MgSO4 and concentrated in vacuo. The residue was purified by column chromatography (EtOAc/hexanes) to afford the ketone 9.
  • 6
  • [ 100382-00-1 ]
  • [ 4294-57-9 ]
  • [ 1649982-98-8 ]
YieldReaction ConditionsOperation in experiment
Stage #1: 4-(benzyloxy)picolinonitrile; para-methylphenylmagnesium bromide In tetrahydrofuran; diethyl ether at -78℃; for 1h; Stage #2: With hydrogenchloride In tetrahydrofuran; diethyl ether for 12h; General Procedures for Synthesis of 9a-d General procedure: To a THF solution of 4-(benzyloxy)picolinonitrile 8 (1.0 eq) was added ArMgBr (1.0 M in Et2O, 1.0 eq) at -78 °C. After stirring for 1 h, the reaction mixture was quenched with 6 N HCl, and stirred for 12 h. The organic phase was washed with brine, dried over MgSO4 and concentrated in vacuo. The residue was purified by column chromatography (EtOAc/hexanes) to afford the ketone 9.
  • 7
  • [ 100382-00-1 ]
  • [ 1649982-91-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: tetrahydrofuran; diethyl ether / 1 h / -78 °C 1.2: 12 h 2.1: sodium tetrahydroborate / methanol / 30 h / -78 °C
  • 8
  • [ 100382-00-1 ]
  • [ 1649982-92-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: tetrahydrofuran; diethyl ether / 1 h / -78 °C 1.2: 12 h 2.1: sodium tetrahydroborate / methanol / 30 h / -78 °C
  • 9
  • [ 100382-00-1 ]
  • [ 1649982-93-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: tetrahydrofuran; diethyl ether / 1 h / -78 °C 1.2: 12 h 2.1: sodium tetrahydroborate / methanol / 30 h / -78 °C
  • 10
  • [ 100382-00-1 ]
  • [ 1649982-94-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: tetrahydrofuran; diethyl ether / 1 h / -78 °C 1.2: 12 h 2.1: sodium tetrahydroborate / methanol / 30 h / -78 °C
  • 11
  • [ 100382-00-1 ]
  • [ 1649982-86-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: tetrahydrofuran; diethyl ether / 1 h / -78 °C 1.2: 12 h 2.1: sodium tetrahydroborate / methanol / 30 h / -78 °C 3.1: palladium 10% on activated carbon; hydrogen / methanol / 1 h
  • 12
  • [ 100382-00-1 ]
  • [ 1649982-87-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: tetrahydrofuran; diethyl ether / 1 h / -78 °C 1.2: 12 h 2.1: sodium tetrahydroborate / methanol / 30 h / -78 °C 3.1: palladium 10% on activated carbon; hydrogen / methanol / 1 h
  • 13
  • [ 100382-00-1 ]
  • [ 1649982-88-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: tetrahydrofuran; diethyl ether / 1 h / -78 °C 1.2: 12 h 2.1: sodium tetrahydroborate / methanol / 30 h / -78 °C 3.1: palladium 10% on activated carbon; hydrogen / methanol / 1 h
  • 14
  • [ 100382-00-1 ]
  • [ 1649982-89-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: tetrahydrofuran; diethyl ether / 1 h / -78 °C 1.2: 12 h 2.1: sodium tetrahydroborate / methanol / 30 h / -78 °C 3.1: palladium 10% on activated carbon; hydrogen / methanol / 1 h
  • 15
  • [ 100382-00-1 ]
  • [ 1649982-74-0 ]
  • [ 1649982-68-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: tetrahydrofuran; diethyl ether / 1 h / -78 °C 1.2: 12 h 2.1: sodium tetrahydroborate / methanol / 30 h / -78 °C 3.1: palladium 10% on activated carbon; hydrogen / methanol / 1 h 4.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / dichloromethane / 1 h / 0 - 20 °C
  • 16
  • [ 100382-00-1 ]
  • [ 1649982-75-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: tetrahydrofuran; diethyl ether / 1 h / -78 °C 1.2: 12 h 2.1: sodium tetrahydroborate / methanol / 30 h / -78 °C 3.1: palladium 10% on activated carbon; hydrogen / methanol / 1 h 4.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / dichloromethane / 1 h / 0 - 20 °C
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