2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-(3-fluo rophenyl)quinazolin-4-one

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Names

[ CAS No. ]:
81262-74-0

[ Name ]:
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-(3-fluo rophenyl)quinazolin-4-one

Chemical & Physical Properties

[ Density]:
1.38g/cm3

[ Boiling Point ]:
716.4ºC at 760 mmHg

[ Molecular Formula ]:
C26H22ClFN4O2S

[ Molecular Weight ]:
508.99500

[ Flash Point ]:
387.1ºC

[ Exact Mass ]:
508.11400

[ PSA ]:
83.74000

[ LogP ]:
4.62200

[ Index of Refraction ]:
1.68

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TL2810300
CHEMICAL NAME :
Piperazine, 1-(4-chlorophenyl)-4-(((3-(3-fluorophenyl)-3,4-dihydr o-4-oxo-2-quinazoliny l) thio)acetyl)-
CAS REGISTRY NUMBER :
81262-74-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C26-H22-Cl-F-N4-O2-S
MOLECULAR WEIGHT :
509.03

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 :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 32,24,1982

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-(3-fluorophenyl)-2-mercaptoquinazolin-4(3H)-one
  • piperazine, 1-(chloroacetyl)-4-(4-chlorophenyl)-

DownStream

Related Compounds

  • 4-(2,5-dimethoxyphenyl)-6-(3-hydroxypropyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
  • 4-(2,5-dimethoxyphenyl)-6-((tetrahydrofuran-2-yl)methyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
  • 4-(4-fluorophenyl)-6-(4-methoxyphenethyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
  • 4-(4-fluorophenyl)-6-(2-hydroxyethyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
  • 6-(4-methoxyphenethyl)-4-(4-methoxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
  • 4-(4-methoxyphenyl)-1-methyl-6-[(oxolan-2-yl)methyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
  • 2-(2-(Benzo[d][1,3]dioxol-5-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
  • 2-(benzo[d][1,3]dioxol-5-yl)-N-(2-methyl-1,3-dioxoisoindolin-5-yl)acetamide
  • 4-(4-hydroxyphenyl)-1-methyl-6-((tetrahydrofuran-2-yl)methyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
  • 1-(4-isopropylphenyl)-3-(2-(6-oxo-3-(pyridin-3-yl)pyridazin-1(6H)-yl)ethyl)urea
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