[ CAS No. 5382-30-9 ]

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COA NMR CNMR HPLC LC-MS

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Product Details of [ 5382-30-9 ]

CAS No. :	5382-30-9	MDL No. :	MFCD03064901
Formula :	C₉H₁₉NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	157.25 g/mol	Pubchem ID :	-
Synonyms :

Safety of [ 5382-30-9 ]

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Application In Synthesis of [ 5382-30-9 ]

* 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.

Upstream synthesis route of [ 5382-30-9 ]
Downstream synthetic route of [ 5382-30-9 ]

[ 5382-30-9 ] Synthesis Path-Upstream 1~1

1
[ 5382-30-9 ]
[ 98-59-9 ]
[ 118811-07-7 ]

Yield	Reaction Conditions	Operation in experiment
51%	With pyridine In chloroform at 20℃;	[003191 48A. tert-Butyl 4-(tosyloxy)piperidine-1-carboxylate: To an ice cooled solution of tert-butyl-4-hydroxy-piperdine (3.00 g, 14.9 mmol) in CHC13 (30 mL), pyridine (3.6 mL, 45 mmol) and TsC1 (5.68 g, 29.8 mmol) were added and the reactionmixture was stirred at rt overnight. The reaction mixture was diluted with CHC13, washed with 1.5 N aq. HC1 and brine, dried over Na2SO4, and concentrated. Purification via silica chromatography gave 48A (off-white solid, 2.70 g, 7.61 mmol, 51percent yield). LC-MS-Anal. Calc’d for C17H25N05S: 355.15, found [M+Na] 377.9. ‘HNMR(400 MHz, DMSO-d6) ö 7.83 (d, J=7.8 Hz, 2H), 7.49 (d, J=7.8 Hz, 2H), 4.69 (tt, J8.0, 3.8Hz, 1H), 3.49 (ddd, J=13.4, 6.5, 4.1 Hz, 2H), 3.15 (t, J9.4 Hz, 2H), 2.44 (s, 3H), 1.67 -1.75 (m, 2H), 1.45 - 1.54 (m, 2H), 1.38 (s, 9H).

Reference： [1] Patent: WO2014/78609, 2014, A1, . Location in patent: Paragraph 00319

[ 5382-30-9 ] Synthesis Path-Downstream 1~3

1
[ 1465-76-5 ]
[ 5382-30-9 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; In tetrahydrofuran; water;	Step A: 1-tert-Butylpiperidin-4-ol To a 0 C. solution of 1.0 g of <strong>[1465-76-5]1-tert-butylpiperidin-4-one</strong> (COMPOUND PPA-1) in 2 mL of TBF was added 6.4 mL of a 1M solution of lithium aluminum hydride in THF dropwise. The mixture was stirred 10 min at rt, then quenched by careful addition of 0.2 mL of water, 0.2 mL of 15% aqueous NaOH, and 0.6 mL of water. The mixture was stirred vigorously for 30 min, then filtered and concentrated to yield the title compound.

Reference： [1]Journal of Organic Chemistry,2005,vol. 70,p. 1930 - 1933
[2]Journal of Medicinal Chemistry,2009,vol. 52,p. 3855 - 3868
[3]Patent: US2003/92712,2003,A1

2
[ 327056-62-2 ]
[ 5382-30-9 ]
C₁₅H₂₁N₃O [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2012,vol. 3,p. 997 - 1002

3
[ 5382-30-9 ]
[ 98-59-9 ]
[ 118811-07-7 ]

Yield	Reaction Conditions	Operation in experiment
51%	With pyridine; In chloroform; at 20℃;	[003191 48A. tert-Butyl 4-(tosyloxy)piperidine-1-carboxylate: To an ice cooled solution of tert-butyl-4-hydroxy-piperdine (3.00 g, 14.9 mmol) in CHC13 (30 mL), pyridine (3.6 mL, 45 mmol) and TsC1 (5.68 g, 29.8 mmol) were added and the reactionmixture was stirred at rt overnight. The reaction mixture was diluted with CHC13, washed with 1.5 N aq. HC1 and brine, dried over Na2SO4, and concentrated. Purification via silica chromatography gave 48A (off-white solid, 2.70 g, 7.61 mmol, 51% yield). LC-MS-Anal. Calc?d for C17H25N05S: 355.15, found [M+Na] 377.9. ?HNMR(400 MHz, DMSO-d6) oe 7.83 (d, J=7.8 Hz, 2H), 7.49 (d, J=7.8 Hz, 2H), 4.69 (tt, J8.0, 3.8Hz, 1H), 3.49 (ddd, J=13.4, 6.5, 4.1 Hz, 2H), 3.15 (t, J9.4 Hz, 2H), 2.44 (s, 3H), 1.67 -1.75 (m, 2H), 1.45 - 1.54 (m, 2H), 1.38 (s, 9H).

Reference： [1]Patent: WO2014/78609,2014,A1 .Location in patent: Paragraph 00319

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[ CAS No. 5382-30-9 ]

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Application In Synthesis of [ 5382-30-9 ]

[ 5382-30-9 ] Synthesis Path-Upstream 1~1

[ 5382-30-9 ] Synthesis Path-Downstream 1~3

Precautionary Statements-General

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Health hazards

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