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

Names

[ CAS No. ]:
84496-13-9

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

Chemical & Physical Properties

[ Density]:
1.34g/cm3

[ Molecular Formula ]:
C29H27ClN4O4

[ Molecular Weight ]:
531.00200

[ Exact Mass ]:
530.17200

[ PSA ]:
94.80000

[ LogP ]:
5.67660

[ Index of Refraction ]:
1.662

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG4995780
CHEMICAL NAME :
Benzoic acid, 4-((4-((5-chloro-1,2-dihydro-2-oxo-1-(1-piperidinylme thyl)-3H-indol-3-ylid ene) amino)benzoyl)amino)-, methyl ester
CAS REGISTRY NUMBER :
84496-13-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C29-H27-Cl-N4-O4
MOLECULAR WEIGHT :
531.05

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
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

  • methyl 4-[(4-nitrobenzoyl)amino]benzoate
  • 4-Nitrobenzoyl chloride
  • Methyl 4-aminobenzoate
  • Piperidine
  • Formaldehyde
  • methyl 4-[[4-[(5-chloro-2-oxoindol-3-yl)amino]benzoyl]amino]benzoate

DownStream

Related Compounds

  • tert-Butyl 3-((4-amino-6-chloropyrimidin-5-yl)oxy)azetidine-1-carboxylate
  • tert-butyl (2S)-2-[(4-amino-6-chloropyrimidin-5-yl)oxymethyl]pyrrolidine-1-carboxylate
  • tert-butyl (2S,4R)-2-[(4-amino-6-chloropyrimidin-5-yl)oxymethyl]-4-methoxypyrrolidine-1-carboxylate
  • (2R,3S)-tert-Butyl 2-(((4-amino-6-chloropyrimidin-5-yl)oxy)methyl)-3-methoxypyrrolidine-1-carboxylate
  • tert-butyl (2S)-2-[(4-amino-6-chloropyrimidin-5-yl)oxymethyl]azetidine-1-carboxylate
  • (2R,3S)-tert-Butyl 2-(((4,6-dichloropyrimidin-5-yl)oxy)methyl)-3-methoxypyrrolidine-1-carboxylate
  • 6-Methyl-2-phenyl-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-4-one
  • tert-Butyl 8-amino-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate
  • 3-Methoxy-5,6,7,8-tetrahydroisoquinolin-8-ol
  • 4-Chloro-N-[(1S)-1-methyl-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]benzeneacetamide
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