3,4-di(4-morpholinyl)-4-phenyl-2-butanone

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Names

[ CAS No. ]:
5455-91-4

[ Name ]:
3,4-di(4-morpholinyl)-4-phenyl-2-butanone

[Synonym ]:
3,4-dimorpholino-4-phenyl-butan-2-one
Morpholine,1-acetyl-2-(phenylethylene)di
3,4-Di-4-morpholinyl-4-phenyl-2-butanone
4-(2-Acetyl-2-morpholino-1-phenylethyl)morpholine

Chemical & Physical Properties

[ Density]:
1.15g/cm3

[ Boiling Point ]:
429.3ºC at 760 mmHg

[ Molecular Formula ]:
C18H26N2O3

[ Molecular Weight ]:
318.41100

[ Flash Point ]:
213.4ºC

[ Exact Mass ]:
318.19400

[ PSA ]:
42.01000

[ LogP ]:
1.22550

[ Index of Refraction ]:
1.55

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QD7050000
CHEMICAL NAME :
Morpholine, (1-acetyl-2-phenylethylene)di-
CAS REGISTRY NUMBER :
5455-91-4
BEILSTEIN REFERENCE NO. :
0093194
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H26-N2-O3
MOLECULAR WEIGHT :
318.46
WISWESSER LINE NOTATION :
T6N DOTJ AXV1&1R&- AT6N DOTJ

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 :
178 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#00344

Safety Information

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • morpholine
  • 3-BUTEN-2-ONE, 3-BROMO-4-PHENYL-
  • trans-4-phenylbut-3-en-2-one

DownStream

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • ML262
  • Defluoro Linezolid-d3
  • 1-[4-(2-chloroethoxy)phenyl]-3,3,4,4,4-pentadeuterio-2-phenylbutan-1-one
  • 4,4,4-trifluoro-3-hydroxy-3-phenylbutan-2-one
  • 4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-one
  • tert-butyl {(5S)-3-[4-(3-oxo-4-morpholinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methylcarbamate