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

  • (2R)-4-(2-bromo-4-methoxyphenyl)butan-2-ol
  • [1-(3-Bromothiophen-2-yl)cyclobutyl]methanol
  • [3-(2-Bromopyridin-3-yl)-2,2-dimethylcyclopropyl]methanamine
  • 1-[1-(3-Bromothiophen-2-yl)cyclopropyl]cyclopropan-1-amine
  • 4-(1-bromopropan-2-yl)-1H-pyrazole
  • (1R)-2-amino-1-(6-bromopyridin-3-yl)ethan-1-ol
  • 2-[1-(3-Bromopyridin-4-yl)cyclopropyl]-2-hydroxyacetic acid
  • O-{[1-(4-bromothiophen-2-yl)cyclopropyl]methyl}hydroxylamine
  • 3-(4-Bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
  • 1-(2,4-Dichloro-5-fluorophenyl)-2,2-difluoroethan-1-amine
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