5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol

Names

[ CAS No. ]:
26685-57-4

[ Name ]:
5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol

Chemical & Physical Properties

[ Density]:
1.07g/cm3

[ Boiling Point ]:
517.8ºC at 760mmHg

[ Molecular Formula ]:
C26H37NO2

[ Molecular Weight ]:
395.57700

[ Flash Point ]:
267ºC

[ Exact Mass ]:
395.28200

[ PSA ]:
32.70000

[ LogP ]:
5.91350

[ Vapour Pressure ]:
2.42E-11mmHg at 25°C

[ Index of Refraction ]:
1.565

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ3170000
CHEMICAL NAME :
5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl )- 10-hydroxy-2-(2-propynyl)-
CAS REGISTRY NUMBER :
26685-57-4
LAST UPDATED :
199107
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C26-H37-N-O2
MOLECULAR WEIGHT :
395.64
WISWESSER LINE NOTATION :
T B666 DN IO HHT&&J D2UU1 H1 H1 LY1&Y5&1 NQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 19,454,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 19,454,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia Behavioral - irritability
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 19,445,1976

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-benzyl-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine
  • 2-(1-benzyl-4-(2-hydroxypropan-2-yl)-1,2,5,6-tetrahydropyridin-3-yl)-5-(3-methyloctan-2-yl)benzene-1,3-diol
  • 8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2H-[1]benzopyrano[4,3-c]pyridin-10-ol
  • 3-Bromopropyne

DownStream

Related Compounds

  • 6-Amino-2-(4-propoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,17-dione
  • 1-(4-hydroxyphenyl)-2-(pyridin-4-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • 1-(3-ethoxy-4-hydroxyphenyl)-2-(6-methoxy-1,3-benzothiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • 1-(4-hydroxy-3-methoxyphenyl)-2-(3-methoxypropyl)-5,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • 7-chloro-2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-6-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • 7-bromo-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • 7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • 2-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • 7-bromo-2-(oxolan-2-ylmethyl)-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • 1-(4-chlorophenyl)-2-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
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