664081

N-Benzylpiperidine-4-carboxaldehyde

95%

• Synonym(s): 1-(Phenylmethyl)-4-piperidinecarboxaldehyde, 1-Benzyl-4-formylpiperidine, 1-Benzylisonipecotaldehyde
• 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

Properties

• Assay: 95%
• refractive index: n20/D 1.537
• bp: 315.4 °C/760 mmHg
• density: 1.026 g/mL at 25 °C
• 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

Description

Application

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

Building block used in a synthesis of donepezil, a reversible inhibitor of acetylcholinesterase.

Safety Information

• Pictograms: GHS06,GHS05
• Signal Word: Danger
• Hazard Statements: H301,H318
• Precautionary Statements: P280 - P301 + P310 + P330 - P305 + P351 + P338 + P310
• 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