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

Click to get detail synthetic route

Precursor & DownStream

Precursor

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

DownStream

Related Compounds

  • 5-((Ethylsulfonyl)methyl)-1-methyl-1H-pyrazol-4-amine
  • 3-(1-(3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl)piperidin-4-yl)-6-fluoroquinazoline-2,4(1H,3H)-dione
  • 6-Chloro-N-methyl-N-phenyl-1H-indole-3-carboxamide
  • 3-(1-(2-(3-chloro-4-methoxyphenyl)acetyl)piperidin-4-yl)-6-fluoroquinazoline-2,4(1H,3H)-dione
  • 5H-Pyrrolo[2,1-c][1,2,4]triazol-7(6H)-one
  • (1S)-2-amino-1-(2-ethylphenyl)ethan-1-ol
  • 2-Chloro-4-methyl-5-nitronicotinonitrile
  • 1-(4-Fluorophenyl)-4-(3-(pyridin-3-yloxy)azetidine-1-carbonyl)pyrrolidin-2-one
  • 1-((5-Methylpyridin-3-yl)sulfonyl)piperazine
  • 1-(4-Chlorophenyl)-4-(3-(pyridin-3-yloxy)azetidine-1-carbonyl)pyrrolidin-2-one