ChemicalBook--->CAS DataBase List--->118156-93-7

118156-93-7

118156-93-7 Structure

118156-93-7 Structure
IdentificationMore
[Name]

1-BOC-3-PIPERIDINECARBOXALDEHYDE
[CAS]

118156-93-7
[Synonyms]

1-BOC-3-PIPERIDINECARBOXALDEHYDE
1-N-BOC-3-FORMYLPIPERIDINE
3-FORMYLPIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
BOC-3-PIPERIDINECARBOXALDEHYDE
BUTTPARK 147\06-01
N-BOC-3-FORMYLPIPERIDINE
N-BOC-3-PIPERIDINYLCARBOXALDEHYDE
1-Boc-3-formylpiperidine
1-Piperidinecarboxylic acid, 3-formyl-, 1,1-dimethylethyl ester
Piperidine-3-carboxaldehyde, N-BOC protected
[Molecular Formula]

C11H19NO3
[MDL Number]

MFCD02179020
[Molecular Weight]

213.27
[MOL File]

118156-93-7.mol
Chemical PropertiesBack Directory
[Boiling point ]

295.4±33.0 °C(Predicted)
[density ]

1.114±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[form ]

liquid
[pka]

-2.29±0.40(Predicted)
[color ]

Clear, light yellow
[Sensitive ]

Air Sensitive
[InChI]

InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-4-5-9(7-12)8-13/h8-9H,4-7H2,1-3H3
[InChIKey]

CTVHINDANRPFIL-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCCC(C=O)C1
[CAS DataBase Reference]

118156-93-7(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN3077
[HS Code ]

29333990
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

1-Boc-piperidine-3-carboxaldehyde is used as an organic chemical synthesis intermediate.
[Synthesis]

N-Boc-piperidine-3-methanol

116574-71-1

1-BOC-3-PIPERIDINECARBOXALDEHYDE

118156-93-7

General procedure for the synthesis of 1-Boc-3-piperidinecarboxaldehyde from tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate: a solution of dimethylsulfoxide (DMSO, 0.18 mL, 2.6 mmol) in dichloromethane (CH2Cl2, 5 mL) was slowly added dropwise at -78 °C to a solution of oxalyl chloride (2 M in CH2Cl2, 0.65 mL, 1.3 mmol ) in a solution of methylene chloride (4 mL). The reaction mixture was stirred at -68 °C for 15 min. Subsequently, tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate (0.22 g, 1.0 mmol) was added dropwise to a dichloromethane (4 mL) solution. After continued stirring at -78 °C for 15 min, triethylamine (Et3N, 6 mL) was added. The reaction mixture was warmed to room temperature and stirred for 16 hours. Upon completion of the reaction, water was added to quench the reaction and the mixture was extracted with ether. The organic layers were combined, dried over anhydrous sodium sulfate (Na2SO4) and concentrated under reduced pressure to give the yellow oily product 1-Boc-3-piperidinecarboxaldehyde (0.20 g, 92% yield). The crude product could be directly used in the subsequent reaction without further purification. Mass spectrum (ESI) m/z 214 (M + 1).

[References]

[1] Patent: WO2006/62465, 2006, A1. Location in patent: Page/Page column 40
[2] Patent: US2004/229864, 2004, A1. Location in patent: Page/Page column 11
[3] Patent: US2017/313683, 2017, A1. Location in patent: Paragraph 0560-0561
[4] Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 4, p. 1368 - 1373
[5] Patent: US2014/31354, 2014, A1. Location in patent: Paragraph 0421; 0422
Spectrum DetailBack Directory
[Spectrum Detail]

1-BOC-3-PIPERIDINECARBOXALDEHYDE(118156-93-7)1HNMR
1-BOC-3-PIPERIDINECARBOXALDEHYDE(118156-93-7)FT-IR
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