[ CAS No. 1283095-48-6 ]

Name: tert-Butyl 4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-1-carboxylate
Brand: Ambeed
SKU: A185950
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Quality Control of [ 1283095-48-6 ]

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COA GC NMR CNMR HPLC/UPLC LC-MS SDS

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SDS

Product Details of [ 1283095-48-6 ]

CAS No. :	1283095-48-6	MDL No. :	MFCD22372746
Formula :	C₁₆H₂₃NO₃S	Boiling Point :	430.2±45.0°C at 760 mmHg
Linear Structure Formula :	-	InChI Key :	-
M.W :	309.42	Pubchem ID :	52951550
Synonyms :

Computed Properties of [ 1283095-48-6 ]

TPSA :Topological Polar Surface Area	67	H-Bond Acceptor Count :	4
XLogP3 :	2.6	H-Bond Donor Count :	0
SP3 :	0.69	Rotatable Bond Count :	2

Safety of [ 1283095-48-6 ]

Signal Word:	Warning	Class	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 1283095-48-6 ]

Upstream synthesis route of [ 1283095-48-6 ]
Downstream synthetic route of [ 1283095-48-6 ]

[ 1283095-48-6 ] Synthesis Path-Upstream 1~5

1
[ 24424-99-5 ]
[ 1283095-47-5 ]
[ 1283095-48-6 ]

Yield	Reaction Conditions	Operation in experiment
99%	at 22℃;	PREPARATION 2tert-Butyl spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylate; Spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (60 g, 286.6 mmol) in 2-methyltetrahydrofuran (600 mL) is stirred at 22° C. for 10 min. Then, tert-butoxycarbonyl tert-butyl carbonate (65.6 g, 301 mmol) in 2-methyltetrahydrofuran (300 mL) is added dropwise. After 12 hr., an aqueous solution of sodium chloride (250 mL) is added and the organic layer is separated. The aqueous layer is washed twice with 2-methyltetrahydrofuran (2.x.50 mL) and the organic layers are combined and washed with brine, dried over sodium sulfate, filtered, and concentrated under reduced pressure to give the title compound in 99percent yield. MS (m/z): 310 (M+1).
99%	for 12.00 h;	Spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (60 g, 286.6 mmol) in 2- methyltetrahydrofuran (600 mL) is stirred at 22°C for 10 min. Then, tert- butoxycarbonyl tert-butyl carbonate (65.6 g, 301 mmol) in 2-methyltetrahydrofuran (300 mL) is added dropwise. After 12 hours, aqueous solution of sodium chloride (250 mL) is added and the organic layer separated. Then aqueous layer is washed twice with 2-methyltetrahydrofuran (2 x 50 mL) and the organic layers are combined and washed with brine, dried over sodium sulfate, filtered, and concentrated under reduced pressure to give the title compound in 99percent yield. MS (m/z): 310 (M+l).

Reference： [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 8, p. 2687 - 2700
[2] Organic Process Research and Development, 2015, vol. 19, # 11, p. 1568 - 1575
[3] Patent: US2011/118251, 2011, A1. Location in patent: Page/Page column 6
[4] Patent: WO2011/60217, 2011, A1. Location in patent: Page/Page column 12-13

2
[ 13781-67-4 ]
[ 1283095-48-6 ]

Reference： [1] Patent: US2011/118251, 2011, A1
[2] Journal of Medicinal Chemistry, 2011, vol. 54, # 8, p. 2687 - 2700
[3] Patent: WO2011/60217, 2011, A1
[4] Organic Process Research and Development, 2015, vol. 19, # 11, p. 1568 - 1575
[5] Organic Process Research and Development, 2015, vol. 19, # 11, p. 1568 - 1575

3
[ 1307248-40-3 ]
[ 1283095-48-6 ]

Reference： [1] Patent: US2011/118251, 2011, A1
[2] Patent: WO2011/60217, 2011, A1

4
[ 6964-21-2 ]
[ 1283095-48-6 ]

Reference： [1] Organic Process Research and Development, 2015, vol. 19, # 11, p. 1568 - 1575
[2] Organic Process Research and Development, 2015, vol. 19, # 11, p. 1568 - 1575

5
[ 41979-39-9 ]
[ 1283095-48-6 ]

Reference： [1] Organic Process Research and Development, 2015, vol. 19, # 11, p. 1568 - 1575