4-(5-(4-Methoxyphenyl)-3-isoxazolyl)benzeneacetic acid

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Names

[ CAS No. ]:
78868-42-5

[ Name ]:
4-(5-(4-Methoxyphenyl)-3-isoxazolyl)benzeneacetic acid

[Synonym ]:
Benzeneacetic acid,4-(5-(4-methoxyphenyl)-3-isoxazolyl)
4-(5-(4-Methoxyphenyl)-3-isoxazolyl)benzeneacetic acid

Chemical & Physical Properties

[ Density]:
1.249g/cm3

[ Boiling Point ]:
539.7ºC at 760 mmHg

[ Molecular Formula ]:
C18H15NO4

[ Molecular Weight ]:
309.31600

[ Flash Point ]:
280.2ºC

[ Exact Mass ]:
309.10000

[ PSA ]:
72.56000

[ LogP ]:
3.64430

[ Index of Refraction ]:
1.59

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY1665000
CHEMICAL NAME :
Benzeneacetic acid, 4-(5-(4-methoxyphenyl)-3-isoxazolyl)-
CAS REGISTRY NUMBER :
78868-42-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H15-N-O4
MOLECULAR WEIGHT :
309.34

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 :
681 mg/kg
TOXIC EFFECTS :
Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
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: 20,401,1981

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 2-Chloro-4-ethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
  • 2-Chloro-4-isobutyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
  • 2-Chloro-4-phenyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
  • 2-Chloro-4-isobutyl-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
  • 2-Chloro-4-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
  • 2-Chloro-4-(4-fluorophenyl)-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
  • 2-Chloro-4-(3-fluorophenyl)-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
  • 2-Chloro-4-(4-methoxyphenyl)-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
  • Methyl 2-chloro-4-(dimethoxymethyl)nicotinate
  • Methyl 5,6-dichloro-2-formylnicotinate
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