8-Methyl-8-azabicyclo[3.2.1]oct-3-yl atropate

Suppliers

Names

[ CAS No. ]:
500-55-0

[ Name ]:
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl atropate

[Synonym ]:
Apohyoscyamine
atropic acid tropane-3endo-yl ester
Atropamin
Apoatropin
Atropasaeure-tropan-3endo-ylester
Atropyltropeine
Benzeneacetic acid, α-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
Propenoic acid, 2-phenyl-, 8-methyl-8-azabicyclo[3.2.1]octan-3-yl ester
8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl atropate
Apohyoscyamin
Benzeneacetic acid, α-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-
Tropine,atropate (ester)
Apoatropine
Atropamine

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
389.1±42.0 °C at 760 mmHg

[ Molecular Formula ]:
C17H21NO2

[ Molecular Weight ]:
271.354

[ Flash Point ]:
136.5±18.8 °C

[ Exact Mass ]:
271.157227

[ PSA ]:
29.54000

[ LogP ]:
3.22

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.572

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YM4025000
CHEMICAL NAME :
1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, atropate (ester)
CAS REGISTRY NUMBER :
500-55-0
BEILSTEIN REFERENCE NO. :
0085429
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C17-H21-N-O2
MOLECULAR WEIGHT :
271.39
WISWESSER LINE NOTATION :
T56 A ANTJ A1 GOVYR&U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
160 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,117,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10400 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB85-203644

Safety Information

[ Risk Phrases ]:
26/28

[ RIDADR ]:
UN 1544

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Atropine
  • Hyoscyamine
  • nitric acid
  • Ethanoic anhydride
  • Benzoic anhydride
  • Atropine sulfate monohydrate
  • Sulfuric acid
  • (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-3-sulfooxypropanoate
  • Atropine sulfate
  • Water

DownStream

  • 2-Phenylacrylic acid
  • 8-methyl-8-azabicyclo[3.2.1]octan-3-ol
  • 8-Azabicyclo(3.2.1)octane, 3-chloro-8-methyl-, exo-
  • 8-Azabicyclo(3.2.1)octane, 3-bromo-8-methyl-, exo-

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%

Related Compounds

  • 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 2H-indazole-3-carboxylate
  • 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate
  • (8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 3-dimethylaminopropanoate dihyd rochloride
  • (8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 3-dimethylaminopropanoate dihyd rochloride
  • 8-methyl-8-azabicyclo[3.2.1]oct-3-yl [1alpha,3alpha(E),5alpha]-2-methyl-2-butenoate hydrobromide
  • (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetate,hydrochloride
  • 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)-
  • (9H-fluoren-9-yl)methyl N-{4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}carbamate
  • methyl 3-(difluoromethyl)-1-methyl-1H-indazole-5-carboxylate
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 1-(4-Bromo-3-chlorophenyl)-2,2-dichloroethanol
  • 4-(2-Aminopentan-2-yl)oxan-4-ol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide