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Safety Information

664081

Sigma-Aldrich

N-Benzylpiperidine-4-carboxaldehyde

95%

Synonym(s):

1-(Phenylmethyl)-4-piperidinecarboxaldehyde, 1-Benzyl-4-formylpiperidine, 1-Benzylisonipecotaldehyde

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About This Item

Empirical Formula (Hill Notation):
C13H17NO
CAS Number:
22065-85-6
Molecular Weight:
203.28
EC Number:
244-757-7
MDL number:
MFCD02258902
UNSPSC Code:
12352100
PubChem Substance ID:
24884678
NACRES:
NA.22

Assay

95%

refractive index

n20/D 1.537

bp

315.4 °C/760 mmHg

density

1.026 g/mL at 25 °C

functional group

aldehyde
phenyl

SMILES string

O=CC1CCN(CC1)Cc2ccccc2

InChI

1S/C13H17NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2

InChI key

SGIBOXBBPQRZDM-UHFFFAOYSA-N

Application

Building block used in a synthesis of donepezil, a reversible inhibitor of acetylcholinesterase.
Reactant for:
  • Stereospecific allylic alkylation
  • Reactions of Grignard reagents with carbonyl compounds
  • Fluorodenitrations and nitrodehalogenations for labeled PET ligands and fluoropharmaceuticals
  • Selective α1 receptor antagonists

Reactant for synthesis of:
  • Donepezil
  • MCH-R1 antagonists

Pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

Signal Word

Danger

Hazard Statements

H301,H318

Hazard Classifications

Acute Tox. 3 Oral - Eye Dam. 1

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

>230.0 °F - closed cup

Flash Point(C)

> 110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV1238
MKCG1010
MKBD4204
MKBC2855
01210DJ

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Efficient and Industrially Viable Synthesis of Donepezil
R. Janaki Rama Rao, et al.
Synthetic Communications, 37, 2847-2853 (2007)

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