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

  • 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)-
  • 3-[(5-Fluoro-6-propan-2-ylpyrimidin-4-yl)-methylamino]-N-(3-methoxyphenyl)piperidine-1-carboxamide
  • 2-Chloro-1-[3-(1H-indol-2-yl)pyrrolidin-1-yl]propan-1-one
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 1-[4-(Aminomethyl)phenyl]cyclopropane-1-carbonitrile
  • 5-(2-Fluoroethoxy)pyridine-2-carbaldehyde;hydrochloride
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide