6-methylpiperidin-2-one

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Names

[ CAS No. ]:
4775-98-8

[ Name ]:
6-methylpiperidin-2-one

[Synonym ]:
EINECS 225-321-5
6-Methyl-2-piperidone
2-PIPERIDONE,6-METHYL
6-methylpiperid-2-one
Methylpentanonisoxim
6-methyl-2-oxo-3,4,5,6-tetrahydropyridine
2-Piperidinone,6-methyl
Methylpentanonisoxim [German]
(+/-)-6-methyl-2-piperidinone
Methylpentanone isoxime

Chemical & Physical Properties

[ Density]:
0.951g/cm3

[ Boiling Point ]:
254ºC at 760mmHg

[ Molecular Formula ]:
C6H11NO

[ Molecular Weight ]:
113.15800

[ Flash Point ]:
138.6ºC

[ Exact Mass ]:
113.08400

[ PSA ]:
32.59000

[ LogP ]:
0.95090

[ Index of Refraction ]:
1.438

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TO0125000
CHEMICAL NAME :
2-Piperidone, 6-methyl-
CAS REGISTRY NUMBER :
4775-98-8
LAST UPDATED :
199203
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H11-N-O
MOLECULAR WEIGHT :
113.18
WISWESSER LINE NOTATION :
T6NVTJ F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 50,199,1903
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
2300 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - muscle weakness Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 50,199,1903

Synthetic Route

Precursor & DownStream

Precursor

  • Methyl 5-Oxohexanoate
  • Glutarimide
  • METHYLMAGNESIUM IODIDE
  • 1-methyl-but-3-enylamine
  • carbon monoxide
  • Cyclohexylamine
  • 2-Methylcyclopentanone

DownStream

  • 6-methylpyridin-2-ol
  • tert-butyl 2-methyl-6-oxopiperidine-1-carboxylate

Related Compounds

  • (R)-6-Methylpiperidin-2-one
  • 1-benzyl-6-methylpiperidin-2-one
  • (6S)-(+)-6-methylpiperidin-2-one
  • 3-hydroxy-6-methylpiperidin-2-one
  • 5-hydroxy-6-methylpiperidin-2-one
  • (4R,6S)-4-hydroxy-6-methylpiperidin-2-one