diethyl (Z)-2-(2,2,5-trimethyl-4-oxopiperidin-1-yl)but-2-enedioate

Names

[ CAS No. ]:
110998-14-6

[ Name ]:
diethyl (Z)-2-(2,2,5-trimethyl-4-oxopiperidin-1-yl)but-2-enedioate

[Synonym ]:
(2,2,5-Trimethyl-4-oxo-1-piperidyl)maleic acid diethyl ester
2-Butenedioic acid,2-(2,2,5-trimethyl-4-oxo-1-piperidinyl)-,diethyl ester,(E)
(E)-2-(2,2,5-Trimethyl-4-oxo-1-piperidinyl)-2-butenedioic acid diethyl ester

Chemical & Physical Properties

[ Density]:
1.088g/cm3

[ Boiling Point ]:
417.3ºC at 760mmHg

[ Molecular Formula ]:
C16H25NO5

[ Molecular Weight ]:
311.37300

[ Flash Point ]:
206.2ºC

[ Exact Mass ]:
311.17300

[ PSA ]:
72.91000

[ LogP ]:
1.62390

[ Vapour Pressure ]:
3.58E-07mmHg at 25°C

[ Index of Refraction ]:
1.479

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EM6610000
CHEMICAL NAME :
2-Butenedioic acid, 2-(2,2,5-trimethyl-4-oxo-1-piperidinyl)-, diethyl ester, (E)-
CAS REGISTRY NUMBER :
110998-14-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H25-N-O5
MOLECULAR WEIGHT :
311.42

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Behavioral - excitement Behavioral - rigidity (including catalepsy)
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 21,411,1987

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,2,5-Trimethyl-4-oxopiperidine
  • diethylbut-2-indioat

DownStream

Related Compounds

  • 3,5-dimethyl-1-(2-methylphenyl)-1H-pyrazol-4-amine
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • ethyl [7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]acetate
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • Ethyl 1-{2-[4-(4-methylphenyl)-6-oxo-1,6-dihydropyrimidin-1-yl]acetyl}piperidine-4-carboxylate
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde