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118811-07-7

118811-07-7 Structure

118811-07-7 Structure
IdentificationBack Directory
[Name]

4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
[CAS]

118811-07-7
[Synonyms]

104618
N-BOC-4-TOXYLOXY-PIPERIDINE
1-Boc-4-(tosyloxy)piperidine
(1-BOC-piperidin-4-yl)tosylate
N-Boc-4-piperidyl p-Methylbenzenesulfonate
t-Butyl 4-(tosyloxy)piperidine-1-carboxylate
tert-butyl 4-(tosyloxy)piperidine-1-carboxylate
4-Tosyloxypiperidine-1-carboxylic Acid tert-Butyl Es
1-(tert-Butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine
tert-Butyl 4-(p-Toluenesulfonyloxy)piperidine-1-carboxylate
1-(tert-Butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine >
4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-...
tert-butyl 4-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate
tert-butyl 4-[(4-methylbenzenesulfonyl)oxy]piperidine-1-carboxylate
4-(p-Toluenesulfonyloxy)piperidine-1-carboxylic Acid tert-Butyl Ester
4-(Toluene-4-sulfonyloxy)piperidine-1-carboxylic acid tert-butyl ester
1-(tert-Butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine
1-Piperidinecarboxylic acid, 4-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester
[Molecular Formula]

C17H25NO5S
[MDL Number]

MFCD06796535
[MOL File]

118811-07-7.mol
[Molecular Weight]

355.45
Chemical PropertiesBack Directory
[Melting point ]

96.0 to 100.0 °C
[Boiling point ]

475.3±38.0 °C(Predicted)
[density ]

1.23±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

-2.97±0.40(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C17H25NO5S/c1-13-5-7-15(8-6-13)24(20,21)23-14-9-11-18(12-10-14)16(19)22-17(2,3)4/h5-8,14H,9-12H2,1-4H3
[InChIKey]

IKOMRHLHPZAEMV-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCC(OS(C2=CC=C(C)C=C2)(=O)=O)CC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER (118811-07-7)1HNMR
4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER (118811-07-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

Tosyl chloride

98-59-9

N-BOC-4-Hydroxypiperidine

109384-19-2

4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

118811-07-7

To a solution of N-Boc-4-hydroxypiperidine (5 g, 24.8 mmol) in dichloromethane (50 mL) was sequentially added triethylamine (13.9 mL, 99.4 mmol) and p-toluenesulfonyl chloride (9.47 g, 49.7 mmol). The reaction mixture was stirred at room temperature for 20 hours. Upon completion of the reaction, the solution was concentrated in vacuum. The residue was redissolved in a mixture of dichloromethane (20 mL) and water (20 mL) and the organic layer was extracted with dichloromethane (20 mL). Subsequently, the organic layer was washed with 1N HCl (40 mL) and extracted twice more with dichloromethane (2 x 40 mL). The organic layers were combined, dried with anhydrous magnesium sulfate, filtered and concentrated. Finally, the crude product was purified by silica gel column chromatography (petroleum ether/ethyl acetate, 8:2) to afford tert-butyl 4-(toluene-4-sulfonyloxy)piperidine-1-carboxylate (8.7 g, quantitative yield) as a white crystalline solid.

[References]

[1] Patent: WO2018/50771, 2018, A1. Location in patent: Page/Page column 72
[2] Patent: WO2007/102883, 2007, A2. Location in patent: Page/Page column 36-37
[3] Patent: WO2013/170072, 2013, A2. Location in patent: Paragraph 001074
[4] Patent: WO2007/30366, 2007, A1. Location in patent: Page/Page column 135
[5] Journal of Medicinal Chemistry, 2012, vol. 55, # 22, p. 9958 - 9972
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