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Conditions | Yield |
---|---|
With potassium carbonate; bis[2-(diphenylphosphino)phenyl] ether In toluene at 105℃; under 3000.3 Torr; for 12h; | 92% |
With (1,3,5-triaza-7-phosphaadamantan-1-ium-1-yl)butane-1-sulfonate; palladium diacetate; triethylamine In N,N-dimethyl-formamide at 20 - 60℃; under 2068.65 Torr; for 24h; Inert atmosphere; Autoclave; chemoselective reaction; | 92% |
With palladium diacetate; sodium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In toluene at 100℃; for 16h; Sealed tube; | 75% |
Conditions | Yield |
---|---|
With hydrogenchloride; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide In 1,4-dioxane at 120℃; for 33h; | 92% |
3-(N,N-diethylcarbamoyl)pyridine 1-oxide
N,N-diethylnicotinamide
Conditions | Yield |
---|---|
With (4,4′-di-tert-butyl-2,2′-bipyridine)bis[(2-pyridinyl)phenyl]iridium(III) hexafluorophosphate; di-tert-butyl 1,4-dihydro-2,6-dimethyl-3,5-pyridine-dicarboxylate In acetonitrile at 20℃; for 2.5h; Inert atmosphere; Irradiation; chemoselective reaction; | 92% |
Conditions | Yield |
---|---|
at 210℃; for 1h; | 88% |
Conditions | Yield |
---|---|
Stage #1: diethylamine With n-butyllithium In tetrahydrofuran at -78 - 0℃; for 0.833333h; Stage #2: methyl 3-pyridinecarboxylate In tetrahydrofuran at -78 - 20℃; for 2h; | 84% |
potassium tert-butylate at 285℃; under 22502.3 Torr; for 0.0116667h; autoclave; Industry scale; Microwave irradiation; |
Conditions | Yield |
---|---|
With cesiumhydroxide monohydrate; palladium diacetate; bis[2-(diphenylphosphino)phenyl] ether In toluene at 80℃; for 24h; Glovebox; Inert atmosphere; Sealed tube; | 79% |
Conditions | Yield |
---|---|
Stage #1: nicotinic acid With niobium pentachloride In 1,4-dioxane Stage #2: diethylamine In 1,4-dioxane at 45 - 50℃; for 12h; | 73% |
With phosphorus pentoxide | |
With phosphorus pentoxide; benzene | |
With trichlorophosphate | |
With N,N'-ethylenethiourea; bis(trichloromethyl) carbonate at 70℃; for 1h; Temperature; Reagent/catalyst; Green chemistry; |
Conditions | Yield |
---|---|
With triethylamine at 20℃; for 0.0166667h; | 72% |
With silica gel; triethylamine; p-toluenesulfonyl chloride at 20℃; for 0.0166667h; | 70% |
With phosphorus pentachloride |
carbon monoxide
3-pyridylboronic acid
triethylamine
N,N-diethylnicotinamide
Conditions | Yield |
---|---|
With copper(l) iodide; oxygen; palladium dichloride In acetonitrile at 100℃; under 1520.1 Torr; for 12h; Autoclave; High pressure; | 62% |
N,N-dimethylnicotinamide
lithium diethylamide
A
N,N-Dimethyl-4-(pyridine-3-carbonyl)-nicotinamide
B
N,N-diethylnicotinamide
Conditions | Yield |
---|---|
In diethyl ether for 5h; Ambient temperature; | A 6% B 60% |
The N,N-Diethylnicotinamide, with the CAS registry number 59-26-7, is also known as 3-Pyridinecarboxamide,N,N-diethyl-;Nikethamide. It belongs to the product categories of Nitrogen cyclic compounds;Heterocyclic Compounds.This chemical's molecular formula is C10H14N2O and molecular weight is 178.23 .Its EINECS number is 200-418-5. What's more,Its systematic name is N,N-Diethylnicotinamide.It is Clear light yellow viscous liquid or crystalline solid. Slightly bitter taste followed by a faint sensation of the warmth. N,N-Diethylnicotinamide was used in the mid-1900s as a medical countermeasure against tranquilizer overdoses, before the advent of endotracheal intubation and positive-pressure lung expansion.It is a central nervous system stimulant. It was formerly used in the treatment of barbiturate overdose but is now considered to be of no value for such purposes and may be dangerous.
Physical properties about N,N-Diethylnicotinamide are:
(1)ACD/LogP: 0.923; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.93; (6)ACD/BCF (pH 7.4): 2.96; (7)ACD/KOC (pH 5.5): 74.85; (8)ACD/KOC (pH 7.4): 75.72; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.52; (13)Molar Refractivity: 51.992 cm3; (14)Molar Volume: 170.961 cm3; (15)Surface Tension: 40.6370010375977 dyne/cm; (16)Density: 1.043 g/cm3 ; (17)Flash Point: 141.13 °C; (18)Enthalpy of Vaporization: 53.789 kJ/mol; (19)Boiling Point: 297.999 °C at 760 mmHg; (20)Vapour Pressure: 0.00100000004749745 mmHg at 25°C;
Safety Information of N,N-Diethylnicotinamide:
The N,N-Diethylnicotinamide is toxic by inhalation, in contact with skin and if swallowed .It is irritating to eyes, respiratory system and skin.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.When you use it ,wear suitable protective clothing, gloves and eye/face protection.In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(N(CC)CC)c1cccnc1;
(2)Std. InChI:InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3;
(3)Std. InChIKey:NCYVXEGFNDZQCU-UHFFFAOYSA-N.
The toxicity data of N,N-Diethylnicotinamide as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 174mg/kg (174mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: EXCITEMENT BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Pharmacology and Experimental Therapeutics. Vol. 128, Pg. 176, 1960. |
mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | Schweizerische Medizinische Wochenschrift. Vol. 85, Pg. 305, 1955. | |
mouse | LD50 | oral | 188mg/kg (188mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT BEHAVIORAL: REGIDITY | Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 1, Pg. 423, 1964. |
mouse | LD50 | subcutaneous | 200mg/kg (200mg/kg) | Bollettino Chimico Farmaceutico. Vol. 111, Pg. 293, 1972. | |
mouse | LD50 | unreported | 288mg/kg (288mg/kg) | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 53, Pg. 2S, 1957. | |
rabbit | LDLo | intravenous | 150mg/kg (150mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Pharmacology and Experimental Therapeutics. Vol. 66, Pg. 260, 1939. |
rabbit | LDLo | subcutaneous | 300mg/kg (300mg/kg) | Klinische Wochenscrift. Vol. 12, Pg. 1860, 1933. | |
rat | LD50 | intraperitoneal | 272mg/kg (272mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Proceedings of the European Society for the Study of Drug Toxicity. Vol. 4, Pg. 132, 1964. |
rat | LD50 | intravenous | 191mg/kg (191mg/kg) | "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. 173, 1973. | |
rat | LD50 | subcutaneous | 240mg/kg (240mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Proceedings of the Society for Experimental Biology and Medicine. Vol. 62, Pg. 19, 1946. |