N,N-Diethylnicotinamide supplier

Name
N,N-DIETHYLNICOTINAMIDE
EINECS 200-418-5
CAS No. 59-26-7
Article Data47
CAS DataBase
Density 1.06
Solubility >=10g/100mLat23C
Melting Point 24-26
Formula C10H14 N2 O
Boiling Point 296-300
Molecular Weight 178.234
Flash Point 141.1°C
Transport Information
Appearance clear colorless to yellow liquid
Safety Poison by ingestion, intravenous, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NO_x.
Risk Codes R23/24/25;
Molecular Structure
Hazard Symbols T
Synonyms Nicotinamide,N,N-diethyl- (8CI);3-(N,N-Diethylcarbamoyl)pyridine;Anacardone;Anacordone;Astrocar;Canfodiamina;Carbamidal;Cardamine;Cardiamid;Cardiamide;Cardiamine;Cardimon;Coracon;Coractiv N;Coramine;Coramine (pharmaceutical);Cordiamin;Cordiamine;Corediol;Cormed;Cormid;Cormotyl;Cornotone;Corvin;Corvitol;Corvotone;Diethylnicotinamide;Dynacoryl;Ecoran;Eucoran;Kordiamin;N,N-Diethyl-3-pyridinecarboxamide;N,N-Diethylnicotinamide;NSC130820;NSC 169863;NSC 62103;Ni-Cor;Niamine;Nicamide;Nicetamide;Nicethamide;Nicorine;Nicotinic acid diethylamide;Nikardin;Niketamide;Niketamine;Nikethamide;Niketharol;Nikethyl;Nikorin;Niquetamide;Percoral;Pyricardyl;Pyridine-3-carboxydiethylamide;Pyridine-3-carboxylic aciddiethylamide;Reformin;Rehormin;Salvacard;Sancora;Solyacord;Stimulin;Ventramine;
PSA 33.20000
LogP 1.56360

Synthetic route

: 626-55-1
3-Bromopyridine

: 201230-82-2
carbon monoxide

: 109-89-7
diethylamine

: 59-26-7
N,N-diethylnicotinamide

Conditions

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%

...Expand

: 59-67-6
nicotinic acid

: 617-84-5
N-formyldiethylamine

: 59-26-7
N,N-diethylnicotinamide

Conditions

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%

: 20165-96-2
3-(N,N-diethylcarbamoyl)pyridine 1-oxide

: 59-26-7
N,N-diethylnicotinamide

Conditions

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%

: 59-67-6
nicotinic acid

: 2283-11-6
hexaethylphosphoric triamide

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
at 210℃; for 1h;	88%

: 93-60-7
methyl 3-pyridinecarboxylate

: 109-89-7
diethylamine

: 59-26-7
N,N-diethylnicotinamide

Conditions

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;

: 626-55-1
3-Bromopyridine

: 67-66-3
chloroform

: 109-89-7
diethylamine

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
With cesiumhydroxide monohydrate; palladium diacetate; bis[2-(diphenylphosphino)phenyl] ether In toluene at 80℃; for 24h; Glovebox; Inert atmosphere; Sealed tube;	79%

...Expand

: 59-67-6
nicotinic acid

: 109-89-7
diethylamine

: 59-26-7
N,N-diethylnicotinamide

Conditions

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;

: 59-67-6
nicotinic acid

: 660-68-4
diethyl amine hydrochloride

: 59-26-7
N,N-diethylnicotinamide

Conditions

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

: 201230-82-2
carbon monoxide

: 1692-25-7
3-pyridylboronic acid

: 121-44-8
triethylamine

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
With copper(l) iodide; oxygen; palladium dichloride In acetonitrile at 100℃; under 1520.1 Torr; for 12h; Autoclave; High pressure;	62%

...Expand

: 6972-69-6
N,N-dimethylnicotinamide

: 816-43-3
lithium diethylamide

A: 77924-13-1
N,N-Dimethyl-4-(pyridine-3-carbonyl)-nicotinamide

B: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
In diethyl ether for 5h; Ambient temperature;	A 6% B 60%

...Expand

: 6972-69-6
N,N-dimethylnicotinamide

A: 77924-13-1
N,N-Dimethyl-4-(pyridine-3-carbonyl)-nicotinamide

B: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
With lithium diethylamide In diethyl ether for 5h; Ambient temperature;	A 6% B 60%

: 6972-69-6
N,N-dimethylnicotinamide

: 816-43-3
lithium diethylamide

A: 77924-13-1
N,N-Dimethyl-4-(pyridine-3-carbonyl)-nicotinamide

B: 59-26-7
N,N-diethylnicotinamide

C lithiated products: lithiated products

Conditions

Conditions	Yield
In ethanol for 5h; Product distribution; Ambient temperature;	A 6% B 60% C n/a

...Expand

: 614-18-6
3-pyridinecarboxylic acid ethyl ester

: 124-40-3
dimethyl amine

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
sodium methylate In ethylene glycol at 85℃; for 25h; Conversion of starting material;	37%

: 614-18-6
3-pyridinecarboxylic acid ethyl ester

: 2283-11-6
hexaethylphosphoric triamide

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
at 210 - 220℃; for 2h;	34.8%

: 59-67-6
nicotinic acid

: 1187-03-7
N,N,N',N'-tetraethylurea

: 59-26-7
N,N-diethylnicotinamide

: 59-67-6
nicotinic acid

: 1709-50-8
N,N-diethylbenzenesulfonamide

: 59-26-7
N,N-diethylnicotinamide

: 59-67-6
nicotinic acid

: 649-15-0
N,N-diethyl-4-methylbenzenesulfonamide

: 59-26-7
N,N-diethylnicotinamide

: 10400-19-8
3-pyridinecarbonyl chloride

: 660-68-4
diethyl amine hydrochloride

: 59-26-7
N,N-diethylnicotinamide

: 699-98-9
Pyridine-2,3-dicarboxylic anhydride

: 109-89-7
diethylamine

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
Erhitzen des Reaktionsprodukts auf 180grad;

: 626-55-1
3-Bromopyridine

: 201230-82-2
carbon monoxide

: 109-89-7
diethylamine

A: 84039-67-8
N,N-diethyl-α-oxo-3-pyridineacetamide

B: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
PdCl2(PMePh2)2 at 100℃; under 7600 Torr; for 63h; Yield given. Yields of byproduct given;

...Expand

: 10400-19-8
3-pyridinecarbonyl chloride

: 109-89-7
diethylamine

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
With pyridine In toluene at 60 - 90℃; for 4h;
With triethylamine In dichloromethane at 20℃; for 0.5h;

: 55675-97-3
4-chloro-N,N-diethyl-3-pyridinecarboxamide

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
With hydrogen; palladium

: 20260-53-1
pyridine-3-carbonyl chloride hydrochloride

: 109-89-7
diethylamine

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
In dichloromethane

: 1709-50-8
N,N-diethylbenzenesulfonamide

nicotinic acid benzenesulfonate: nicotinic acid benzenesulfonate

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
at 200℃;

: 1120-90-7
3-iodopyridine

: 201230-82-2
carbon monoxide

: 109-89-7
diethylamine

A: 84039-67-8
N,N-diethyl-α-oxo-3-pyridineacetamide

B: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
With potassium phosphate; chloromethyl(1,5-cyclooctadiene)palladium(II) In 1,4-dioxane at 100℃; under 7600 Torr; for 15h;
With 1,8-diazabicyclo[5.4.0]undec-7-ene In 1,4-dioxane at 100℃; for 3h; Inert atmosphere; Schlenk technique;

...Expand

: 107-10-8
propylamine

: 36740-09-7
α-(3-pyridyl)-α-(4-morpholino)acetonitrile

A: [1-Morpholin-4-yl-1-pyridin-3-yl-meth-(Z)-ylidene]-propyl-amine

B: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
With nickel(IV) oxide In tetrahydrofuran at 20℃; for 16h;	A 97 % Chromat. B n/a

...Expand

: 98976-84-2
Diethyl-carbamic acid 3-diethylcarbamoyl-pyridin-4-yl ester

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) NaOMe; 2.) POCl3 / 1.) MeOH 2: H2 / Pd View Scheme

: 59-67-6
nicotinic acid

phenyl-β-pyridyl ketone: phenyl-β-pyridyl ketone

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: SOCl2, pyridine / toluene / 1 h / 90 °C 2: pyridine / toluene / 4 h / 60 - 90 °C View Scheme

: 59-67-6
nicotinic acid

: 59-26-7
N,N-diethylnicotinamide

Conditions

Conditions	Yield
With trifluoroacetic acid In water; acetonitrile
Multi-step reaction with 2 steps 1: thionyl chloride / toluene; N,N-dimethyl-formamide / 20 °C 2: triethylamine / dichloromethane / 0.5 h / 20 °C View Scheme

: 59-26-7
N,N-diethylnicotinamide

: 500-22-1
3-pyridinecarboxaldehyde

Conditions

Conditions	Yield
With Schwartz's reagent In tetrahydrofuran at 20℃; for 0.25h;	99%
With diethyl ether; diisobutylaluminium hydride

: 59-26-7
N,N-diethylnicotinamide

: N,N-diethyl-3-piperidinecarboxamide hydrochloride

Conditions

Conditions	Yield
With 1,1,2-trichloroethane; palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; for 46h;	99%

: 59-26-7
N,N-diethylnicotinamide

: 721451-34-9
N,N-diethyl-α,α-dichloro-3-pyridylmethylamine

Conditions

Conditions	Yield
With oxalyl dichloride In tert-butyl methyl ether at 20℃; for 5h; Heating / reflux;	95%
With oxalyl dichloride In tert-butyl methyl ether at 20℃; for 5h; Inert atmosphere; Reflux;	95%

: C10H10FN3O

: 59-26-7
N,N-diethylnicotinamide

: 2937-50-0
Allyl chloroformate

: (R*)-allyl 4-((S*)-5-fluoro-1,3-dimethyl-2-oxoindolin-3-yl)-3-(diethylcarbamoyl)pyridine-1(4H)-carboxylate

Conditions

Conditions	Yield
Stage #1: N,N-diethylnicotinamide; Allyl chloroformate In tetrahydrofuran at -20℃; for 0.166667h; Molecular sieve; Stage #2: C10H10FN3O With bis(η3-allyl-μ-chloropalladium(II)) In tetrahydrofuran at -20℃; for 13h; diastereoselective reaction;	95%

...Expand

: 59-26-7
N,N-diethylnicotinamide

: 626-15-3
1,3-bis-(bromomethyl)benzene

: 1,3-phenylenebis(methylene)[3-(N,N-diethyl)carbamoylpyridinium bromide]

Conditions

Conditions	Yield
In acetonitrile for 18h; Heating;	94%

: 59-26-7
N,N-diethylnicotinamide

: 2-(1-(4-methoxyphenyl)ethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: 17341-93-4
2,2,2-Trichloroethyl chloroformate

: C21H24Cl4N2O3

Conditions

Conditions	Yield
Stage #1: 2-(1-(4-methoxyphenyl)ethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane With (3,5-bis(trifluoromethyl)phenyl)lithium In tetrahydrofuran at -78℃; Stage #2: N,N-diethylnicotinamide; 2,2,2-Trichloroethyl chloroformate In tetrahydrofuran at -40℃; diastereoselective reaction;	94%

...Expand

: 59-26-7
N,N-diethylnicotinamide

: 5,5'-di-(N,N-diethylcarbamido)-2,2'-dipyridyl

Conditions

Conditions	Yield
With nickel at 180 - 190℃; for 10h;	93.2%

: 59-26-7
N,N-diethylnicotinamide

: 2-diazo-N-methyl-N-phenylpropanamide

: 2937-50-0
Allyl chloroformate

: (R*)-allyl 3-(diethylcarbamoyl)-4-((S*)-1,3-dimethyl-2-oxoindolin-3-yl)pyridine-1(4H)-carboxylate

Conditions

Conditions	Yield
Stage #1: N,N-diethylnicotinamide; Allyl chloroformate In tetrahydrofuran at -20℃; for 0.166667h; Molecular sieve; Stage #2: 2-diazo-N-methyl-N-phenylpropanamide With bis(η3-allyl-μ-chloropalladium(II)) In tetrahydrofuran at -20℃; for 13h; diastereoselective reaction;	93%

...Expand

: C10H10BrN3O

: 59-26-7
N,N-diethylnicotinamide

: 2937-50-0
Allyl chloroformate

: (R*)-allyl 4-((S*)-5-bromo-1,3-dimethyl-2-oxoindolin-3-yl)-3-(diethylcarbamoyl)pyridine-1(4H)-carboxylate

Conditions

Conditions	Yield
Stage #1: N,N-diethylnicotinamide; Allyl chloroformate In tetrahydrofuran at -20℃; for 0.166667h; Molecular sieve; Stage #2: C10H10BrN3O With bis(η3-allyl-μ-chloropalladium(II)) In tetrahydrofuran at -20℃; for 13h; diastereoselective reaction;	93%

...Expand

: copper(II) nitrate trihydrate

: sodium coumarilate

: 59-26-7
N,N-diethylnicotinamide

: [Cu(II)(coumarilate)2(N,N'-diethylnicotinamide)2(H2O)2]

Conditions

Conditions	Yield
Stage #1: sodium coumarilate; N,N-diethylnicotinamide In ethanol; water at 20℃; for 0.5h; Stage #2: copper(II) nitrate trihydrate In ethanol at 55℃; for 3h; Stage #3: In ethanol at 20℃; for 840h;	92%

...Expand

: C10H10ClN3O

: 59-26-7
N,N-diethylnicotinamide

: 2937-50-0
Allyl chloroformate

: (R*)-allyl 4-((S*)-5-chloro-1,3-dimethyl-2-oxoindolin-3-yl)-3-(diethylcarbamoyl)pyridine-1(4H)-carboxylate

Conditions

Conditions	Yield
Stage #1: N,N-diethylnicotinamide; Allyl chloroformate In tetrahydrofuran at -20℃; for 0.166667h; Molecular sieve; Stage #2: C10H10ClN3O With bis(η3-allyl-μ-chloropalladium(II)) In tetrahydrofuran at -20℃; for 13h; diastereoselective reaction;	91%

...Expand

: 685-87-0
Diethyl 2-bromomalonate

: 59-26-7
N,N-diethylnicotinamide

: C17H24N2O5

Conditions

Conditions	Yield
at 20℃; for 360h;	90.4%

: 31469-25-7
1,1-bis(trimethylsiloxy)-2-methylprop-1-ene

: 59-26-7
N,N-diethylnicotinamide

: 79-22-1
methyl chloroformate

: methyl 4-(1-carboxy-1-methylethyl)-3-diethylcarbamoyl-4H-pyridine-1-carboxylate

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 2h;	90%

...Expand

: cadmium(II) p-chlorobenzoate hydrate

: 59-26-7
N,N-diethylnicotinamide

: Cd(p-chlorobenzoate)2(diethylnicotinamide)2(H2O)2*2H2O

Conditions

Conditions	Yield
In water soln. of diethylnicotinamide in H2O added dropwise with stirring to soln. of p-chlorobenzoate in hot H2O; soln. heated to 50°C and stirred for 4 h; cooled to room temp.; allowed to stay 10-12 ds for crystn.; filtered; washed (cold water, acetone); dried (vac.); elem. anal.;	90%

: C11H13N3O

: 59-26-7
N,N-diethylnicotinamide

: 2937-50-0
Allyl chloroformate

: (R*)-allyl 3-(diethylcarbamoyl)-4-((S*)-1,3,5-trimethyl-2-oxoindolin-3-yl)pyridine-1(4H)-carboxylate

Conditions

Conditions	Yield
Stage #1: N,N-diethylnicotinamide; Allyl chloroformate In tetrahydrofuran at -20℃; for 0.166667h; Molecular sieve; Stage #2: C11H13N3O With bis(η3-allyl-μ-chloropalladium(II)) In tetrahydrofuran at -20℃; for 13h; diastereoselective reaction;	90%

...Expand

: 38118-70-6
2-diazo-N-methyl-N-phenylacetamide

: 59-26-7
N,N-diethylnicotinamide

: 2937-50-0
Allyl chloroformate

: (R*)-allyl 3-(diethylcarbamoyl)-4-((S*)-1-methyl-2-oxoindolin-3-yl)pyridine-1(4H)-carboxylate

Conditions

Conditions	Yield
Stage #1: N,N-diethylnicotinamide; Allyl chloroformate In tetrahydrofuran at -20℃; for 0.166667h; Molecular sieve; Stage #2: 2-diazo-N-methyl-N-phenylacetamide With bis(η3-allyl-μ-chloropalladium(II)) In tetrahydrofuran at -20℃; for 13h; diastereoselective reaction;	90%

...Expand

: 80595-59-1
bromoacetic acid (-)-8-phenylmenthol ester

: 59-26-7
N,N-diethylnicotinamide

: 3-(N,N-diethylaminocarbonyl)-1-(l-8-phenylmenthyloxycarbonylmethyl)pyridinium bromide

Conditions

Conditions	Yield
at 90℃;	89%

: 59-26-7
N,N-diethylnicotinamide

: 42007-11-4
α-deuterio-3-pyridinecarboxaldehyde

Conditions

Conditions	Yield
With zirconocene dichloride; diisobutylaluminium deuteride In tetrahydrofuran at 0 - 23℃;	89%

: 5356-85-4
methylbis(trimethylsilyloxy)vinylsilane

: 59-26-7
N,N-diethylnicotinamide

: N,N-diethyl-6-(2-(1,1,1,3,5,5,5-heptamethyltrisiloxan-3-yl)ethyl)nicotinamide

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)nickel(0); C85H88N2O2; bis(2,6-di-tert-butyl-4-methylphenoxide)methylaluminum at 135℃; for 18h; Inert atmosphere; Glovebox; regioselective reaction;	89%

: C11H13N3O2

: 59-26-7
N,N-diethylnicotinamide

: 2937-50-0
Allyl chloroformate

: (R*)-allyl 3-(diethylcarbamoyl)-4-((S*)-5-methoxy-1,3-dimethyl-2-oxoindolin-3-yl)pyridine-1(4H)-carboxylate

Conditions

Conditions	Yield
Stage #1: N,N-diethylnicotinamide; Allyl chloroformate In tetrahydrofuran at -20℃; for 0.166667h; Molecular sieve; Stage #2: C11H13N3O2 With bis(η3-allyl-μ-chloropalladium(II)) In tetrahydrofuran at -20℃; for 13h; diastereoselective reaction;	88%

...Expand

: o-TolMgBr·LiCl

: 59-26-7
N,N-diethylnicotinamide

: 1428419-68-4
N,N-diethyl-4-(o-tolyl)nicotinamide

Conditions

Conditions	Yield
Stage #1: N,N-diethylnicotinamide With boron trifluoride diethyl etherate In tetrahydrofuran at 0℃; for 0.25h; Inert atmosphere; Stage #2: o-TolMgBr·LiCl In tetrahydrofuran at -30℃; for 2h; Inert atmosphere; Stage #3: With chloranil In tetrahydrofuran at 20℃; for 12h; Inert atmosphere; regioselective reaction;	87%

: 1189120-03-3
(S)-4,4,5,5-tetramethyl-2-(1-phenylpropyl)-1,3,2-dioxaborolane

: 59-26-7
N,N-diethylnicotinamide

: 17341-93-4
2,2,2-Trichloroethyl chloroformate

: C22H27Cl3N2O3

Conditions

Conditions	Yield
Stage #1: (S)-4,4,5,5-tetramethyl-2-(1-phenylpropyl)-1,3,2-dioxaborolane With (3,5-bis(trifluoromethyl)phenyl)lithium In tetrahydrofuran at -78℃; Stage #2: N,N-diethylnicotinamide; 2,2,2-Trichloroethyl chloroformate In tetrahydrofuran at -40℃; diastereoselective reaction;	87%

...Expand

: 59-26-7
N,N-diethylnicotinamide

: 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

: C16H27BN2O3

Conditions

Conditions	Yield
With ZrIII6(μ3-O)4(μ3-ONa)4H6Na6(1,3,5-benzenetricarboxylate)2 at 90℃; for 18h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Schlenk technique;	87%
With ammonium tetraphenylborate In [D3]acetonitrile at 90℃; for 24h; Inert atmosphere; Schlenk technique; Glovebox; Sealed tube; regioselective reaction;	79%

: zinc(II) nitrate hexahydrate

: sodium coumarilate

: 59-26-7
N,N-diethylnicotinamide

: [Zn(II)(N,N'-diethylnicotinamide)2(H2O)4](coumarilate)2

Conditions

Conditions	Yield
Stage #1: sodium coumarilate; N,N-diethylnicotinamide In ethanol; water at 20℃; for 0.5h; Stage #2: zinc(II) nitrate hexahydrate In ethanol at 55℃; for 3h; Stage #3: In ethanol at 20℃; for 840h;	87%

...Expand

: 59-26-7
N,N-diethylnicotinamide

: 2055-14-3
3-(N,N-diethylaminomethyl)pyridine

Conditions

Conditions	Yield
With n-butyllithium; borane-THF; diisopropylamine at 65℃; for 2h;	86%
With phenylsilane; potassium hydroxide In neat (no solvent) at 20℃; for 16h;	80%
With diethylzinc; lithium chloride In tetrahydrofuran; hexane at 20℃; for 24h; Catalytic behavior; Inert atmosphere; chemoselective reaction;	72%

: zinc(II) p-chlorobenzoate hydrate

: 59-26-7
N,N-diethylnicotinamide

: 1039102-80-1
Zn(p-chlorobenzoate)2(diethylnicotinamide)2(H2O)2

Conditions

Conditions	Yield
In water soln. of diethylnicotinamide in H2O added dropwise with stirring to soln. of p-chlorobenzoate in hot H2O; soln. heated to 50°C and stirred for 4 h; cooled to room temp.; allowed to stay 10-12 ds for crystn.; filtered; washed (cold water, acetone); dried (vac.); elem. anal.;	86%

N,N-Diethylnicotinamide Specification

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.

Product Name

N,N-DIETHYLNICOTINAMIDE

Synthetic route

N,N-Diethylnicotinamide Specification

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