Febrifugine

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Names

[ Name ]:
Febrifugine

[Synonym ]:
3-{3-[(2S,3R)-3-Hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one
3-[b-Keto-g-(3-hydroxy-2-piperidyl)propyl]-4-quinazolone
(2S-trans)-3-[3-(3-Hydroxy-2-piperidinyl)-2-oxopropyl]-4(3H)-quinazolinone
3-{3-[(2S,3R)-3-Hydroxy-2-piperidinyl]-2-oxopropyl}-4(3H)-quinazolinone
b-Dichroine
β-Dichroine
4(3H)-Quinazolinone, 3-[3-[(2S,3R)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-
Febrifugine
febrifungine
Febrifugine (8CI)

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
508.2±60.0 °C at 760 mmHg

[ Melting Point ]:
139-140°; mp 154-156°

[ Molecular Formula ]:
C₁₆H₁₉N₃O₃

[ Molecular Weight ]:
301.340

[ Flash Point ]:
261.1±32.9 °C

[ Exact Mass ]:
301.142639

[ PSA ]:
84.22000

[ LogP ]:
-0.04

[ Vapour Pressure ]:
0.0±1.4 mmHg at 25°C

[ Index of Refraction ]:
1.673

[ Storage condition ]:
2-8℃

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: VA3450000

CHEMICAL NAME :: 4(3H)-Quinazolinone, 3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, (2S-trans)-

CAS REGISTRY NUMBER :: 24159-07-7

LAST UPDATED :: 199707

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C16-H19-N3-O3

MOLECULAR WEIGHT :: 301.38

WISWESSER LINE NOTATION :: T66 BVN ENJ C1V1- BT6NTJ CQ

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 :: 2500 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 71,1048,1949

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 10 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,867,1970

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4600 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736) V.1- 1869- Volume(issue)/page/year: 161,400,1948

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(3aR,7aS)-benzyl 2-hydroxy-2-((4-oxoquinazolin-3(4H)-yl)methyl)hexahydrofuro[3,2-b]pyridine-4(2H)-carboxylate
(3S)-trans-O-acetyl-N-benzyloxycarbonyl-febrifugine
Isofebrifugine
Benzyl 2-allyl-3-oxo-1-piperidinecarboxylate
benzyl (2S,3S)-2-allyl-3-hydroxypiperidine-1-carboxylate
benzyl (3aS,7aS)-2-(bromomethyl)hexahydrofuro[3,2-b]pyridine-4(2H)-carboxylate
(3AS,7AS)-BENZYL 2-(BROMOMETHYL)-2-METHOXYHEXAHYDROFURO[3,2-B]PYRIDINE-4(2H)-CARBOXYLATE
benzyl (3aS,7aS)-2-hydroxy-2-[(4-oxo-3(4H)-quinazolinyl)methyl]hexahydrofuro[3,2-b]pyridine-4(2H)-carboxylate

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%