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

Names

[ CAS No. ]:
107089-86-1

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

Chemical & Physical Properties

[ Density]:
1.5g/cm3

[ Boiling Point ]:
478.3ºC at 760mmHg

[ Molecular Formula ]:
C13H14N4O3S

[ Molecular Weight ]:
306.34000

[ Flash Point ]:
243.1ºC

[ Exact Mass ]:
306.07900

[ PSA ]:
90.79000

[ LogP ]:
1.13430

[ Vapour Pressure ]:
2.6E-09mmHg at 25°C

[ Index of Refraction ]:
1.705

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UR0451666
CHEMICAL NAME :
3H-Pyrazol-3-one, 2,4-dihydro-2-(4-ethyl-4H-1,2,4-benzothiadiazin-3-yl) -5-methyl-, S,S-dioxide
CAS REGISTRY NUMBER :
107089-86-1
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H14-N4-O3-S
MOLECULAR WEIGHT :
306.37

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

Related Compounds

  • 3-ethyl-1-{2-ethyl-2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]butanoyl}azetidine-3-carboxylic acid
  • 3-ethyl-1-[7-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)heptanoyl]azetidine-3-carboxylic acid
  • 3-ethyl-1-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-methoxypentanoyl]azetidine-3-carboxylic acid
  • rac-1-[(1R,3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohexanecarbonyl]piperidine-3-carboxylic acid
  • rac-3-{N-cyclopropyl-1-[(1R,3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohexyl]formamido}propanoic acid
  • 4-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanamido]-1-methyl-1H-pyrazole-3-carboxylic acid
  • 4-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanamido]-1-methyl-1H-pyrazole-3-carboxylic acid
  • 4-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methoxypropanamido]-1-methyl-1H-pyrazole-3-carboxylic acid
  • 4-{2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethoxy]acetamido}-1-methyl-1H-pyrazole-3-carboxylic acid
  • 4-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1,2,5-oxadiazole-3-amido]-1-methyl-1H-pyrazole-3-carboxylic acid
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