3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone

Names

[ CAS No. ]:
123769-39-1

[ Name ]:
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone

[Synonym ]:
(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)(4-methoxyphenyl)methanone
2H-1,5-Benzodioxepine,3,4-dihydro-7-(p-methoxybenzoyl)
Methanone,(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-methoxyphenyl)

Chemical & Physical Properties

[ Density]:
1.193g/cm3

[ Boiling Point ]:
450.8ºC at 760 mmHg

[ Molecular Formula ]:
C17H16O4

[ Molecular Weight ]:
284.30700

[ Flash Point ]:
201ºC

[ Exact Mass ]:
284.10500

[ PSA ]:
44.76000

[ LogP ]:
3.08750

[ Vapour Pressure ]:
2.56E-08mmHg at 25°C

[ Index of Refraction ]:
1.569

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
PC4950140
CHEMICAL NAME :
Methanone, (3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-methoxyphen yl)-
CAS REGISTRY NUMBER :
123769-39-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H16-O4
MOLECULAR WEIGHT :
284.33

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 :
2100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 23,322,1989

Synthetic Route

Precursor & DownStream

Precursor

  • 3,4-DIHYDRO-2H-BENZO[B][1,4]DIOXEPINE
  • p-Anisoyl chloride

DownStream


Related Compounds

  • 3-Piperidinamine, N,N-dimethyl-4-propyl-, (3R,4R)-
  • 3-Azabicyclo[3.2.1]octan-1-ylmethanol
  • 6-(Iodomethyl)hexahydrofuro[3,4-b]furan
  • Methyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-1-carboxylate
  • 9-Hydroxy-3-methyl-3-azabicyclo[3.3.1]nonane-1-carboxylic acid
  • (3S,4S)-N,N-dimethyl-4-(propan-2-yl)piperidin-3-amine
  • N-[(1-Pyrimidin-2-ylpiperidin-3-yl)methyl]prop-2-ynamide
  • (3S,4R)-N,N-dimethyl-3-propylpiperidin-4-amine
  • {3-Azabicyclo[3.3.1]nonan-1-yl}methanol
  • 5-Methyl-octahydro-1H-pyrrolo[3,4-c]pyridine-7a-carboxylic acid
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