(E)-7-(1-Oxo-3-phenyl-2-propenyl)-2,2,4-trimethyl-2H-1,4-benzoxazin-3( 4H)-one

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Names

[ CAS No. ]:
123172-58-7

[ Name ]:
(E)-7-(1-Oxo-3-phenyl-2-propenyl)-2,2,4-trimethyl-2H-1,4-benzoxazin-3( 4H)-one

Chemical & Physical Properties

[ Density]:
1.174g/cm3

[ Boiling Point ]:
567.5ºC at 760mmHg

[ Molecular Formula ]:
C20H19NO3

[ Molecular Weight ]:
321.37000

[ Flash Point ]:
297ºC

[ Exact Mass ]:
321.13600

[ PSA ]:
46.61000

[ LogP ]:
3.78150

[ Vapour Pressure ]:
6.8E-13mmHg at 25°C

[ Index of Refraction ]:
1.603

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM3970000
CHEMICAL NAME :
2H-1,4-Benzoxazin-3(4H)-one, 7-(1-oxo-3-phenyl-2-propenyl)-2,2,4-trimethyl-, (E)-
CAS REGISTRY NUMBER :
123172-58-7
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H19-N-O3
MOLECULAR WEIGHT :
321.40

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 :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 24,55,1989

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one
  • Benzaldehyde
  • 6-Acetyl-3-methylbenzoxazol-2(3H)-one
  • 3-Methyl-2-benzoxazolinone
  • 1-[3-hydroxy-4-(methylamino)phenyl]ethanone

DownStream

Related Compounds

  • 1-(Propylamino)-3-[(5,6,7,8-tetrahydro-2-naphthalenyl)oxy]-2-propanol
  • 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)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4-Propyl-1,2,3-thiadiazole-5-carbonyl chloride
  • 2-(2,5-Dichlorophenyl)-2-methylpropanoic acid
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde