1-(4-nitrophenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one

Names

[ CAS No. ]:
111711-83-2

[ Name ]:
1-(4-nitrophenyl)sulfonyl-5-propan-2-yloxypyrrolidin-2-one

[Synonym ]:
(+/-) 1-(4-nitrobenzenesulphonyl)-2-oxo-5-isopropyloxypyrrolidine
2-Pyrrolidinone,1-(2-methylethoxy)-1-((4-nitrophenyl)sulfonyl)
1-(2-Methylethoxy)-1-((4-nitrophenyl)sulfonyl)-2-pyrrolidinone

Chemical & Physical Properties

[ Density]:
1.43g/cm3

[ Boiling Point ]:
482.9ºC at 760mmHg

[ Molecular Formula ]:
C13H16N2O6S

[ Molecular Weight ]:
328.34100

[ Flash Point ]:
245.8ºC

[ Exact Mass ]:
328.07300

[ PSA ]:
117.88000

[ LogP ]:
3.19890

[ Vapour Pressure ]:
1.76E-09mmHg at 25°C

[ Index of Refraction ]:
1.595

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY5791000
CHEMICAL NAME :
2-Pyrrolidinone, 1-(2-methylethoxy)-1-((4-nitrophenyl)sulfonyl)-
CAS REGISTRY NUMBER :
111711-83-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H16-N2-O6-S
MOLECULAR WEIGHT :
328.37

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 26,403,1991

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 5-isopropyloxy pyrrolidin-2-one
  • nosyl chloride

DownStream

Related Compounds

  • 5-(3-chlorobenzyl)-3-(4-methoxybenzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
  • 5-(2-fluorobenzyl)-3-(4-methoxybenzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
  • 5-(2-chloro-6-fluorobenzyl)-3-(4-methoxybenzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
  • 5-(3-methoxybenzyl)-3-(4-methoxybenzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
  • 5-(3-fluorobenzyl)-3-(2-methoxybenzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
  • 3-(2-methoxybenzyl)-5-(3-methoxybenzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
  • 3-(3,4-dimethoxyphenethyl)-5-(4-methylbenzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
  • 5-(3-chlorobenzyl)-3-(3-methoxybenzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
  • 3-(3-methoxybenzyl)-5-(3-methylbenzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
  • 5-(2-chloro-4-fluorobenzyl)-3-(3-methoxybenzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
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