1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester

Modify Date: 2024-04-03 14:14:59

1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester Structure
1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester structure
Common Name 1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester
CAS Number 31539-88-5 Molecular Weight 167.20500
Density 1.16g/cm3 Boiling Point 250.5ºC at 760mmHg
Molecular Formula C9H13NO2 Melting Point N/A
MSDS N/A Flash Point 103.4ºC

 Names

Name Methyl 1-azabicyclo[2.2.2]oct-2-ene-3-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.16g/cm3
Boiling Point 250.5ºC at 760mmHg
Molecular Formula C9H13NO2
Molecular Weight 167.20500
Flash Point 103.4ºC
Exact Mass 167.09500
PSA 29.54000
LogP 0.70680
Index of Refraction 1.538

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CL6176000
CHEMICAL NAME :
1-Azabicyclo(2.2.2)oct-2-ene-3-carboxylic acid, methyl ester
CAS REGISTRY NUMBER :
31539-88-5
BEILSTEIN REFERENCE NO. :
0132895
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H13-N-O2
MOLECULAR WEIGHT :
167.23
WISWESSER LINE NOTATION :
T66 A B CN AUTJ AVO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
19 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands Kidney, Ureter, Bladder - urine volume increased
REFERENCE :
RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 35,55,1972

 Safety Information

HS Code 2933990090

 Synthetic Route

~%

1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester Structure

1-Azabicyclo[2....

CAS#:31539-88-5

Literature: Grob et al. Helvetica Chimica Acta, 1957 , vol. 40, p. 2170,2176

~%

1-Azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester Structure

1-Azabicyclo[2....

CAS#:31539-88-5

Literature: Grob; Renk Helvetica Chimica Acta, 1954 , vol. 37, p. 1672,1676

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

Dehydroquinuclidine-3-carboxylic acid
Methyl dehydroquinuclidine-3-carboxylate
3-methoxycarbonyl-2,3-didehydroquinuclidine