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[ CAS No. 31648-54-1 ]

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3d Animation Molecule Structure of 31648-54-1
Chemical Structure| 31648-54-1
Chemical Structure| 31648-54-1
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Product Details of [ 31648-54-1 ]

CAS No. :31648-54-1 MDL No. :MFCD04115317
Formula : C13H18N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :GEHZGURGZRSODK-UHFFFAOYSA-N
M.W :234.29 Pubchem ID :4112251
Synonyms :

Safety of [ 31648-54-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 31648-54-1 ]

* 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 [ 31648-54-1 ]

[ 31648-54-1 ] Synthesis Path-Downstream   1~18

YieldReaction ConditionsOperation in experiment
Step B 3-Carbobenzyloxyaminopiperidine A solution of the intermediate from the previous step (9.51 g, 41.7 mmol) and hydrochloric acid (3.5 mL, 41.7 mmol) in ethanol (300 mL) was hydrogenated over PtO2 (0.9 g) and hydrogen (1 atm) overnight. Filtration and evaporation gave the product as a brown solid. FAB-MS calc. for C13 H18 N2 O2: 234; Found 235(M+H) STR190
Step B 3-Carbobenzyloxyaminopiperidine A solution of the intermediate from the previous step (9.51 g, 41.7 mmol) and hydrochloric acid (3.5 mL, 41.7 mmol) in ethanol (300 mL) was hydrogenated over PtO2 (0.9 g) and hydrogen (1 atm) overnight. Filtration and evaporation gave the product as a brown solid. FAB-MS calc. for C13 H18 N2 O2: 234; Found 235(M+H)
  • 2
  • [ 183207-70-7 ]
  • [ 31648-54-1 ]
YieldReaction ConditionsOperation in experiment
With trifluoroacetic acid; In dichloromethane; at 20℃; for 2.0h; To a solution of compound I-4 (470 mg, 1.47 mmol) in DCM, TFA (2.5 mL, 29 mmol) was addedand then the reaction mixture was stirred at room temperature for 2 h and then was evaporated togive the crude product directly used in the next step A mixture of the amine, DIEA (3.84 mL,22.05mmol) and cyclohexanone (1.5 mL) in THF (10 mL) was stirred at room temperature for 1.5h and then NaBH(OAc)3 (1.6 g, 7.35 mmol) was added into the solution. The reaction mixture wasstirred at room temperature for overnight and then H2O was added to quench the reaction. Thesolution was extracted with ethyl acetate (30 mL × 2). The organic layer was washed with brine(15 mL × 2) and then was dried over anhydrous MgSO4. After filtration and concentration, thecrude product I-5 was obtained and purified with column chromatography ( methylene chloride/methanol = 45:1 to 30:1) to give compound I-5 as light yellow oil (350 mg, 78%).
  • 3
  • [ 144243-24-3 ]
  • [ 31648-54-1 ]
  • 4
  • [ 501-53-1 ]
  • [ 31648-54-1 ]
  • 5
  • [ 108-94-1 ]
  • [ 31648-54-1 ]
  • benzyl (1-cyclohexylpiperidin-3-yl)carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
400 mg General procedure: To a solution of compound I-4 (470 mg, 1.47 mmol) in DCM, TFA (2.5 mL, 29 mmol) was addedand then the reaction mixture was stirred at room temperature for 2 h and then was evaporated togive the crude product directly used in the next step A mixture of the amine, DIEA (3.84 mL,22.05mmol) and cyclohexanone (1.5 mL) in THF (10 mL) was stirred at room temperature for 1.5h and then NaBH(OAc)3 (1.6 g, 7.35 mmol) was added into the solution. The reaction mixture wasstirred at room temperature for overnight and then H2O was added to quench the reaction. Thesolution was extracted with ethyl acetate (30 mL × 2). The organic layer was washed with brine(15 mL × 2) and then was dried over anhydrous MgSO4. After filtration and concentration, thecrude product I-5 was obtained and purified with column chromatography ( methylene chloride/methanol = 45:1 to 30:1) to give compound I-5 as light yellow oil (350 mg, 78%).
  • 6
  • [ 31648-54-1 ]
  • N2-(1-iso-pentylpiperidin-3-yl)-1H-benzo[d]imidazole-2,4-dicarboxamide [ No CAS ]
  • 7
  • [ 31648-54-1 ]
  • N2-(1-cyclohexylpiperidin-3-yl)-1H-benzo[d]imidazole-2,4-dicarboxamide [ No CAS ]
  • 8
  • [ 31648-54-1 ]
  • tert-butyl 3-(4-carbamoyl-1H-benzo[d]imidazole-2-carboxamido)-1,4’-bipiperidine-1’-carboxylate [ No CAS ]
  • 9
  • [ 31648-54-1 ]
  • N2-(1,4'-bipiperidine-3-yl)-1H-benzo[d]imidazole-2,4-dicarboxmide 2,2,2-trifluoroacetate [ No CAS ]
  • 10
  • [ 31648-54-1 ]
  • 1-cyclohexylpiperidin-3-amine [ No CAS ]
  • 11
  • [ 31648-54-1 ]
  • 1-iso-pentylpiperidin-3-amine [ No CAS ]
  • 12
  • [ 31648-54-1 ]
  • tert-butyl 3-amino-(1,4'-bipiperidine)-1'-carboxylate [ No CAS ]
  • 13
  • [ 31648-54-1 ]
  • [ 870-63-3 ]
  • benzyl (1-(3-methylbut-2-en-1-yl)piperidin-3-yl)carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
350 mg With N-ethyl-N,N-diisopropylamine; In acetonitrile; for 5.0h;Reflux; To a solution of compound I-7 (900 mg, 2.62 mmol) in DCM (30 mL), TFA (4.5 mL, 52.32 mmol)was added and then the reaction mixture was stirred at room temperature for 1 h and then was evaporated to give the crude product used in the next step. The mixture of the amine, DIEA (3.6mL, 20.93 mmol) and 1-bromo-3-methylbut-2-ene (1.5 mL, 13.08 mmol) in acetonitrile washeaded to reflux for 5 h and then was evaporated. Then ethyl acetate (60 mL) was added to thesolution and then the organic layer was washed with brine (20 mL × 2) and then was dried overanhydrous MgSO4. After filtration and concentration, the crude product I-8b was obtained andpurified with column chromatography (methylene chloride /methanol = 40:1 to 25:1) to givecompound I-8b light yellow oil (350 mg, 49.3%).
  • 14
  • [ 79099-07-3 ]
  • [ 31648-54-1 ]
  • tert-butyl 3-(((benzyloxy)carbonyl)amino)-[1,4'-bipiperidine]-1'-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
400 mg General procedure: To a solution of compound I-4 (470 mg, 1.47 mmol) in DCM, TFA (2.5 mL, 29 mmol) was addedand then the reaction mixture was stirred at room temperature for 2 h and then was evaporated togive the crude product directly used in the next step A mixture of the amine, DIEA (3.84 mL,22.05mmol) and cyclohexanone (1.5 mL) in THF (10 mL) was stirred at room temperature for 1.5h and then NaBH(OAc)3 (1.6 g, 7.35 mmol) was added into the solution. The reaction mixture wasstirred at room temperature for overnight and then H2O was added to quench the reaction. Thesolution was extracted with ethyl acetate (30 mL × 2). The organic layer was washed with brine(15 mL × 2) and then was dried over anhydrous MgSO4. After filtration and concentration, thecrude product I-5 was obtained and purified with column chromatography ( methylene chloride/methanol = 45:1 to 30:1) to give compound I-5 as light yellow oil (350 mg, 78%).
  • 15
  • 4-bromo-2,3-dimethyl-1H-indole-7-carbonitrile [ No CAS ]
  • [ 31648-54-1 ]
  • C24H26N4O2 [ No CAS ]
  • 16
  • [ 31648-54-1 ]
  • (RS)-4-(3-aminopiperidin-1-yl)-2,3-dimethyl-1H-indole-7-carboxamide [ No CAS ]
  • 17
  • [ 31648-54-1 ]
  • (RS)-4-(3-acrylamidopiperidin-1-yl)-2,3-dimethyl-1H-indole-7-carboxamide [ No CAS ]
  • 18
  • [ 31648-54-1 ]
  • (RS)-2,3-dimethyl-4-(3-(vinylsulfonamido)piperidin-1-yl)-1H-indole-7-carboxamide [ No CAS ]
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