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Type HazMat fee for 500 gram (Estimated)
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Chemical Structure| 534595-53-4 Chemical Structure| 534595-53-4

Structure of 534595-53-4

Chemical Structure| 534595-53-4

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Product Details of [ 534595-53-4 ]

CAS No. :534595-53-4
Formula : C8H18N2
M.W : 142.24
SMILES Code : CC(C)NC1CCNCC1
MDL No. :MFCD12778506
InChI Key :GINABUAPACIWCA-UHFFFAOYSA-N
Pubchem ID :22394351

Safety of [ 534595-53-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H312-H332-H335-H314-H227
Precautionary Statements:P210-P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P233-P403+P235-P405-P501
Class:8
UN#:2735
Packing Group:

Application In Synthesis of [ 534595-53-4 ]

* 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 [ 534595-53-4 ]

[ 534595-53-4 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 534595-53-4 ]
  • [ 82257-15-6 ]
  • [ 690998-87-9 ]
YieldReaction ConditionsOperation in experiment
80% Step C-Preparation of 4-IsopropYlamino-1-(4-metl1oxaparid-3- ylmethyl) piperidine 4-Isopropylaminopiperidine (1.32 g, 9.3 mmol) and dichloromethane (40 mL) were added to a 100 mL round-bottom flask equipped with a cooling bath. 4-Methoxypyridine-3-carboxaldehyde (1.44 g, 10.5 mmol) was added and the reaction mixture was stirred at room temperature for 1 hour. The reaction mixture was then cooled to 0 C to 5 C using a methanol/ice bath and sodium triacetoxyborohydride (2.54 g, 12 mmol) was added at such a rate so as to maintain the temperature of the reaction mixture less than 10 C. When the addition was complete, the reaction mixture was stirred at ambient temperature until less than 1% starting material was present by GC analysis (about 3 hours). Aqueous 1N hydrochloric acid (20 mL) was then added and the layers were separated. The pH of aqueous layer was adjusted to 12 with aqueous 50% sodium hydroxide solution and the resulting mixture was stirred for 1 hour. The aqueous layer was then extracted with ethyl acetate (2 x 20 L) and the combined organic layers were decolorized with charcoal (1 g) and dried over anhydrous magnesium sulfate (5 g). The solids were removed by filtration through a glass fiber filter pad and the filtrate was concentrated under vacuum. The residue was further dried under high vacuum for 1 hour to give the title compound (2.1 g, 80% yield).
YieldReaction ConditionsOperation in experiment
80% Step C-Preparation of 4-Isopropylamino-1-(4-methoxyperid-3-ylmethyl)piperidine 4-Isopropylaminopiperidine (1.32 g, 9.3 mmol) and dichloromethane (40 mL) were added to a 100 mL round-bottom flask equipped with a cooling bath. 4-Methoxypyridine-3-carboxaldehyde (1.44 g, 10.5 mmol) (prepared, for example, as described in U.S. patent application No. 2004/0122014 A1) was added and the reaction mixture was stirred at room temperature for 1 hour. The reaction mixture was then cooled to 0 C. to 5 C. using a methanol/ice bath and sodium triacetoxyboerohydride (2.54 g, 12 mmol) was added at such a rate so as to maintain the temperature of the reaction mixture less than 10 C. When the addition was complete, the reaction mixture was stirred at ambient temperature until less than 1% starting material was present by GC analysis (about 3 hours). Aqueous 1N hydrochloric acid (20 mL) was then added and the layers were separated. The pH of aqueous layer was adjusted to 12 with aqueous 50% sodium hydroxide solution and the resulting mixture was stirred for 1 hour. The aqueous layer was then extracted with ethyl acetate (2*20 L) and the combined organic layers were decolorized with charcoal (1 g) and dried over anhydrous magnesium sulfate (5 g). The solids were removed by filtration through a glass fiber filter pad and the filtrate was concentrated under vacuum. The residue was further dried under high vacuum for 1 hour to give the title compound (2.1 g, 80% yield).
 

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