N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide

Names

[ CAS No. ]:
107045-05-6

[ Name ]:
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide

[Synonym ]:
Acetic acid,(4-((1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)methyl)phenoxy)-,(1-(4-chlorophenyl)ethylidene)hydrazide

Chemical & Physical Properties

[ Density]:
1.315g/cm3

[ Molecular Formula ]:
C21H19ClN4O3

[ Molecular Weight ]:
410.85400

[ Exact Mass ]:
410.11500

[ PSA ]:
99.13000

[ LogP ]:
3.70010

[ Index of Refraction ]:
1.631

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AH0510000
CHEMICAL NAME :
Acetic acid, (4-((1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene) methyl)phenoxy)-, (1-(4-chlorophenyl)ethylidene)hydrazide
CAS REGISTRY NUMBER :
107045-05-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H19-Cl-N4-O3
MOLECULAR WEIGHT :
410.89

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 :
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: 25,339,1986

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-(4-Chlorophenyl)ethanone
  • 4-(3-Methyl-5-oxo-4-pyrazolidenemethyl)-phenoxyacetic acid hydrazide
  • ethyl (4-formylphenoxy)acetate
  • 4-hydroxybenzaldehyde
  • Ethyl 4-(3-methyl-5-oxo-pyrazolidenemethyl)-phenoxyacetate

DownStream

Related Compounds

  • 3-(5-bromo-2-pyridyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
  • [(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl](methyl)amine
  • methyl (E)-3-(5-bromo-2-pyridyl)prop-2-enoate
  • 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
  • 1-[(3,5-Dibromopyridin-2-yl)methyl]azetidin-3-amine
  • 5-cyclohexyl-3-(trifluoromethyl)-1H-1,2,4-triazole
  • 2-(5-Bromopyridin-2-yl)thiazole-4-carboxylic Acid
  • 2-(2,4-dioxo-8-thia-1,3-diazaspiro[4.5]decan-3-yl)acetic acid
  • Arachidyl glycol isostearate
  • (4-Chlorobenzyl)hydrazine acetate
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