2-(1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-yl)-5-methyl-4H-pyrazol-3-one

Names

[ CAS No. ]:
107089-87-2

[ Name ]:
2-(1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-yl)-5-methyl-4H-pyrazol-3-one

Chemical & Physical Properties

[ Density]:
1.47g/cm3

[ Boiling Point ]:
542.9ºC at 760mmHg

[ Molecular Formula ]:
C17H14N4O3S

[ Molecular Weight ]:
354.38300

[ Flash Point ]:
282.1ºC

[ Exact Mass ]:
354.07900

[ PSA ]:
90.79000

[ LogP ]:
2.44610

[ Vapour Pressure ]:
7.56E-12mmHg at 25°C

[ Index of Refraction ]:
1.723

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UR0475000
CHEMICAL NAME :
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-phenyl-4H-1,2,4-benzothiadi azin-3-yl)-, S,S-dioxide
CAS REGISTRY NUMBER :
107089-87-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H14-N4-O3-S
MOLECULAR WEIGHT :
354.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 24,1295,1985

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl acetoacetate
  • (1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-yl)hydrazine
  • 1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-one

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)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine