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194352 Sigma-Aldrich

Ethyl 1-methyl-3-piperidinecarboxylate

96%

Synonym: 1-Methyl-nipecotic acid ethyl ester, Ethyl 1-methylnipecotate, NSC 64739

  • CAS Number 5166-67-6

  • Empirical Formula (Hill Notation) C9H17NO2

  • Molecular Weight 171.24

  •  Beilstein/REAXYS Number 123259

  •  EC Number 225-951-0

  •  MDL number MFCD00006496

  •  PubChem Substance ID 24851646

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C9, Chemical Synthesis, Heterocyclic Building Blocks, Piperidines More...
Quality Level   100
assay   96%
refractive index   n20/D 1.451 (lit.)
bp   88-89 °C/11 mmHg (lit.)
density   0.954 g/mL at 25 °C (lit.)
SMILES string   CCOC(=O)C1CCCN(C)C1
InChI   1S/C9H17NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3
InChI key   VFJJNMLPRDRTCO-UHFFFAOYSA-N

Description

General description

Enantiomeric discrimination has been investigated in 1H and 13C NMR spectra of ethyl 1-methyl-3-piperidinecarboxylate in the presence of (-)-(18-crown-6)-2,3,11,12-tetracarboxylic acid.

Application

Reactant for:
N-demethylation of tertiary amines
Reverse cope elimination reactions
Regioselective oxidation
Synthesis of chelating agents
Sequential Michael-Michael-Dieckmann cyclizations

Packaging

5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Target organs 
Respiratory system
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
154.4 °F - closed cup
Flash Point(C) 
68 °C - closed cup
Protocols & Articles
Peer-Reviewed Papers
15

References

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