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

Modify Date: 2024-01-14 11:20:41

diethyl (Z)-2-(2,2,5-trimethyl-4-oxopiperidin-1-yl)but-2-enedioate Structure
diethyl (Z)-2-(2,2,5-trimethyl-4-oxopiperidin-1-yl)but-2-enedioate structure
 Common Name diethyl (Z)-2-(2,2,5-trimethyl-4-oxopiperidin-1-yl)but-2-enedioate
CAS Number 110998-14-6 Molecular Weight 311.37300
Density 1.088g/cm3 Boiling Point 417.3ºC at 760mmHg
Molecular Formula C16H25NO5 Melting Point N/A
MSDS N/A Flash Point 206.2ºC

 Names

Name diethyl (Z)-2-(2,2,5-trimethyl-4-oxopiperidin-1-yl)but-2-enedioate
Synonym More Synonyms

 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

2,2,5-Trimethyl-4-oxopiperidine structure

2,2,5-Trimethyl...

CAS#:22977-58-8

diethylbut-2-indioat structure

diethylbut-2-indioat

CAS#:762-21-0

~75%

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

diethyl (Z)-2-(...

CAS#:110998-14-6

Literature: Kats, M. M.; Lavretskaya, E. F.; Chervin, I. I.; El'natashov, Yu. I.; Kostyanovskii, R. G. Pharmaceutical Chemistry Journal, 1987 , vol. 21, # 6 p. 411 - 413 Khimiko-Farmatsevticheskii Zhurnal, 1987 , vol. 21, # 6 p. 675 - 677

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

(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
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Chemsrc provides CAS#:110998-14-6 MSDS, density, melting point, boiling point, structure, etc. Its name is diethyl (Z)-2-(2,2,5-trimethyl-4-oxopiperidin-1-yl)but-2-enedioate>> amp version: diethyl (Z)-2-(2,2,5-trimethyl-4-oxopiperidin-1-yl)but-2-enedioate

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