methyl 4-[[4-[(5-chloro-2-oxoindol-3-yl)amino]benzoyl]amino]benzoate

Names

[ CAS No. ]:
84496-05-9

[ Name ]:
methyl 4-[[4-[(5-chloro-2-oxoindol-3-yl)amino]benzoyl]amino]benzoate

Chemical & Physical Properties

[ Density]:
1.4g/cm3

[ Molecular Formula ]:
C23H16ClN3O4

[ Molecular Weight ]:
433.84400

[ Exact Mass ]:
433.08300

[ PSA ]:
100.35000

[ LogP ]:
4.97380

[ Index of Refraction ]:
1.672

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG4995760
CHEMICAL NAME :
Benzoic acid, 4-((4-((5-chloro-1,2-dihydro-2-oxo-3H-indol-3-ylidene )amino)benzoyl)amino) -, methyl ester
CAS REGISTRY NUMBER :
84496-05-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C23-H16-Cl-N3-O4
MOLECULAR WEIGHT :
433.87

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - respiratory depression
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: 21,775,1982

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 5-Chloroindoline-2,3-dione
  • methyl 4-[(4-nitrobenzoyl)amino]benzoate
  • 4-Nitrobenzoyl chloride
  • Methyl 4-aminobenzoate

DownStream

  • methyl 4-[[4-[[5-chloro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]benzoyl]amino]benzoate

Related Compounds

  • 4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4H,5H,6H,7H-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid
  • 4-({[(9H-fluoren-9-yl)methoxy]carbonyl}(pyrimidin-2-yl)amino)butanoic acid
  • tert-butyl 1-[(pyrrolidin-2-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
  • methyl 1-{[2-(trimethylsilyl)ethoxy]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylate
  • rac-(4aR,7aR)-1-[(benzyloxy)carbonyl]-octahydrofuro[3,4-b]pyridine-4-carboxylic acid
  • 4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid
  • tert-butyl 5H,6H,7H,8H-imidazo[1,2-a]pyrimidine-3-carboxylate
  • 2-{3-[(Benzyloxy)carbonyl]-2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazol-2-yl}acetic acid
  • rac-(5R,6R)-4-[(tert-butoxy)carbonyl]-1-methyl-5-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
  • ethyl 6-(aminomethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-carboxylate
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