[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl] propanoate

Names

[ CAS No. ]:
981-01-1

[ Name ]:
[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl] propanoate

[Synonym ]:
14-Propionyloxy-kodeinon
14-Propionyloxycodeinon
Codeinone,14-hydroxy-,propionate
Morphinan-6-one,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-14-(1-oxopropoxy)-,(5alpha)
Morphinan-6-one,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-14-(1-oxopropoxy)-,(5)

Chemical & Physical Properties

[ Density]:
1.35g/cm3

[ Boiling Point ]:
514.5ºC at 760 mmHg

[ Molecular Formula ]:
C21H23NO5

[ Molecular Weight ]:
369.41100

[ Flash Point ]:
265ºC

[ Exact Mass ]:
369.15800

[ PSA ]:
65.07000

[ LogP ]:
1.72300

[ Index of Refraction ]:
1.631

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QD2167000
CHEMICAL NAME :
Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-14-hydroxy-3-methoxy-17 -methyl-, propionate (ester)
CAS REGISTRY NUMBER :
981-01-1
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C21-H23-N-O5
MOLECULAR WEIGHT :
369.45

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 16(Suppl),68T,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
110 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 16(Suppl),68T,1964

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol
  • 14-hydroxycodeine diacatate
  • 6α-acetoxy-4,5α-epoxy-3-methoxy-17-methyl-morphin-7-en-14-ol
  • 14-Hydroxy Codeinone
  • Propionic anhydride

DownStream

Related Compounds

  • tert-butyl 3a-(hydroxymethyl)-octahydro-1H-indole-1-carboxylate
  • tert-butyl 3a-(chloromethyl)-octahydro-1H-indole-1-carboxylate
  • [(octahydro-1H-indol-3a-yl)methyl](propan-2-yl)amine
  • rac-ethyl 2-[(1R,3S)-3-aminocyclopentyl]acetate
  • 5-(2,4-Dimethylpentan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
  • 3-(4-Bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole
  • 4-Chloro-2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)aniline
  • 1-{5-[(4-Amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl}-3-butylurea
  • 1-{5-[(4-Amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl}-3-propylurea
  • N-{1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl}cyclopropanesulfonamide
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