8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Names

[ CAS No. ]:
54080-21-6

[ Name ]:
8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

[Synonym ]:
8-(3-(2-p-Fluorophenyl-2-dioxolanyl)propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane
1-phenyl-8-[3-(2-(4-fluorophenyl)-1,3-dioxolan-2-yl)propyl]-1,3,8-triazaspiro[4.5]decan-4-one
8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
8-<3-<2-(4-fluorophenyl)-1,3-dioxolan-2-yl>propyl>-1-phenyl-1,3,8-triazaspiro<4.5>decan-4-one
spiperone ketal
1,3,8-Triazaspiro(4.5)decan-4-one,8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl

Chemical & Physical Properties

[ Density]:
1.29g/cm3

[ Boiling Point ]:
628.3ºC at 760mmHg

[ Molecular Formula ]:
C25H30FN3O3

[ Molecular Weight ]:
439.52200

[ Flash Point ]:
333.8ºC

[ Exact Mass ]:
439.22700

[ PSA ]:
54.04000

[ LogP ]:
3.56570

[ Index of Refraction ]:
1.627

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XX9170000
CHEMICAL NAME :
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1- phenyl-
CAS REGISTRY NUMBER :
54080-21-6
BEILSTEIN REFERENCE NO. :
0634001
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C25-H30-F-N3-O3
MOLECULAR WEIGHT :
439.58
WISWESSER LINE NOTATION :
T6N DXTJ A3- BT5O COTJ BR DF&& D-& CT5MVXN EHJ DR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
24 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#11746

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-Phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
  • 2-(3-Chloropropyl)-2-(4-fluorophenyl)-1,3-dioxolane

DownStream

Related Compounds

  • N-(2-(4-phenyl-1H-pyrazol-1-yl)ethyl)-2-(trifluoromethoxy)benzenesulfonamide
  • N-(2-(4-phenyl-1H-pyrazol-1-yl)ethyl)morpholine-4-sulfonamide
  • 3,3,3-trifluoro-N-(2-(4-phenyl-1H-pyrazol-1-yl)ethyl)propane-1-sulfonamide
  • 1,2-dimethyl-N-(2-(4-phenyl-1H-pyrazol-1-yl)ethyl)-1H-imidazole-4-sulfonamide
  • 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-(4-(furan-2-yl)-1H-pyrazol-1-yl)ethyl)benzamide
  • 4-(N,N-dimethylsulfamoyl)-N-(2-(4-(furan-2-yl)-1H-pyrazol-1-yl)ethyl)benzamide
  • 5-chloro-N-(2-(4-(furan-2-yl)-1H-pyrazol-1-yl)ethyl)-2-methoxybenzamide
  • N-(2-(4-(furan-2-yl)-1H-pyrazol-1-yl)ethyl)-2-(2-methoxyphenoxy)acetamide
  • 2-(2-fluorophenoxy)-N-(2-(4-(furan-2-yl)-1H-pyrazol-1-yl)ethyl)acetamide
  • N-(2-(4-(furan-2-yl)-1H-pyrazol-1-yl)ethyl)-3-(4-methoxyphenyl)propanamide
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