Conditions | Yield |
---|---|
In benzene for 12h; Heating; | 90% |
Conditions | Yield |
---|---|
With C54H43ClN3P2Ru(1+)*F6P(1-); caesium carbonate In toluene at 140℃; for 48h; Inert atmosphere; Sealed tube; Green chemistry; | 87% |
Conditions | Yield |
---|---|
With triethylamine at 20℃; for 0.0166667h; | 83% |
With silica gel; triethylamine; p-toluenesulfonyl chloride at 20℃; for 0.0166667h; | 75% |
N-methoxy-N-methylpyridine-3-carboxamide
N-Methylnicotinamide
Conditions | Yield |
---|---|
With N1,N1,N12,N12-tetramethyl-7,8-dihydro-6H-dipyrido[1,2-a:2,1'-c][1,4]diazepine-2,12-diamine In N,N-dimethyl-formamide at 20℃; | 81% |
With o-phenylenebis(diphenylphosphine); triisobutylaluminum; bis(dibenzylideneacetone)-palladium(0) In hexane at 150℃; for 6h; Schlenk technique; Inert atmosphere; chemoselective reaction; | 79% |
Conditions | Yield |
---|---|
With tris(2-diphenylphosphinoethyl)phosphine; potassium tert-butylate; water; caesium carbonate; cobalt(II) bromide In m-xylene at 150℃; for 60h; Green chemistry; | 81% |
Conditions | Yield |
---|---|
With potassium hexacyanoferrate(III) In aq. phosphate buffer at 20℃; for 2h; pH=7.4; | 68% |
Conditions | Yield |
---|---|
With C54H43ClN3P2Ru(1+)*F6P(1-); caesium carbonate In toluene at 140℃; for 48h; Inert atmosphere; Schlenk technique; Green chemistry; | 53% |
Conditions | Yield |
---|---|
Stage #1: nicotinic acid With 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 0.333333h; Inert atmosphere; Stage #2: methylamine In dichloromethane; water at 20℃; for 3h; Inert atmosphere; |
silver tetrafluoroborate
dichloro(4,4'-di-tert-butyl-2,2'-bipyridine)palladium(II)
N-Methylnicotinamide
Conditions | Yield |
---|---|
In tetrahydrofuran under N2 atm. mixt. (PdCl2(bu2bipy)) and AgBF4 in THF was stirred for 2 h, soln. was filtered and soln. N-methylnicotinamide in THF was added and stirred for 2 h; soln. was concd., Et2O was added, ppt. was filtered, washed with Et2O anddried under vacuo; elem. anal.; | 95% |
bis(benzonitrile)palladium(II) dichloride
N-Methylnicotinamide
[PdCl2(NC5H4-3-CONHMe)2]
Conditions | Yield |
---|---|
In tetrahydrofuran under N2 atm. to soln. (Pd(PhCN)2Cl2) in THF was added soln. N-methylnicotinamide in THF and stirred for 2 h; ppt. was filtered, washed with acetone and dried in vacuo; elem. anal.; | 93% |
N-Methylnicotinamide
water
copper(II) acetate monohydrate
3-Iodobenzoic acid
Conditions | Yield |
---|---|
for 72h; | 88% |
N-Methylnicotinamide
tert-butylmercury chloride
6-tert-Butyl-N-methyl-nicotinamide
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 40 - 45℃; Irradiation; | 87% |
at 40℃; for 20h; Irradiation; | 87% |
Conditions | Yield |
---|---|
With cerium(IV) oxide at 175℃; Inert atmosphere; Sealed tube; | 87% |
silver tetrafluoroborate
(Cp*Ir)2(μ(3)-S)2PdCl2
N-Methylnicotinamide
Conditions | Yield |
---|---|
In dichloromethane under N2 atm. mixt. ((PdCl2)(Cp*Ir)2(μ3-S)2), AgBF4, and N-methylnicotinamide in CH2Cl2 was stirred at room temp. for 12 h in the dark; soln. was filtered, ether was added; elem. anal.; | 86% |
m-bromobenzoic acid
N-Methylnicotinamide
water
copper(II) acetate monohydrate
Conditions | Yield |
---|---|
for 72h; | 86% |
Conditions | Yield |
---|---|
for 72h; | 86% |
N-Methylnicotinamide
copper(II) acetate monohydrate
2,6-dichlorobenzoic acid
Conditions | Yield |
---|---|
In acetonitrile for 24h; | 85% |
3-fluorobenzoic acid
N-Methylnicotinamide
water
copper(II) acetate monohydrate
Conditions | Yield |
---|---|
for 72h; | 85% |
N-Methylnicotinamide
copper(II) acetate monohydrate
2,5-dichlorobenzoic acid
Conditions | Yield |
---|---|
In acetonitrile for 24h; | 85% |
{(1,3-bis(diphenylphosphino)propane)ditriflatopalladium(II)}
N-Methylnicotinamide
Conditions | Yield |
---|---|
In tetrahydrofuran under N2 atm. mixt. (Pd(dppe)(CF3SO3)2) and N-methylnicotinamide in THF was stirred for 3 h; soln. was concd., pentane was added, ppt. was filtered, washed with pentane and dried in vacuo; elem. anal.; | 84% |
N-Methylnicotinamide
water
copper(II) acetate monohydrate
3-chlorobenzoate
Conditions | Yield |
---|---|
for 72h; | 84% |
N-Methylnicotinamide
4-deuterio-N-methylpyridine-3-carboxamide
Conditions | Yield |
---|---|
With water-d2 In tetrahydrofuran at 20℃; for 2h; | 82% |
N-Methylnicotinamide
copper(II) acetate monohydrate
2,6-dichlorobenzoic acid
Conditions | Yield |
---|---|
In acetonitrile for 24h; Solvent; | 81% |
(palladium(II)(triflate)2(bis(diphenylphosphino)methane))
N-Methylnicotinamide
Conditions | Yield |
---|---|
In tetrahydrofuran under N2 atm. mixt. (Pd(dppm)(CF3SO3)2) and N-methylnicotinamide in THF was stirred for 2 h; soln. was concd., pentane was added, ppt. was filtered, washed with pentane and dried in vacuo; elem. anal.; | 80% |
2,3-dichlorbenzoic acid
N-Methylnicotinamide
water
copper(II) acetate monohydrate
Conditions | Yield |
---|---|
for 72h; | 79% |
N-Methylnicotinamide
N-methyl-4-iodopyridine-3-carboxamide
Conditions | Yield |
---|---|
With iodine In tetrahydrofuran at 20℃; for 2h; | 78% |
Pyridine-2,6-dicarboxylic acid
N-Methylnicotinamide
copper(II) acetate monohydrate
Conditions | Yield |
---|---|
Stage #1: N-Methylnicotinamide; copper(II) acetate monohydrate In methanol at 20℃; for 0.5h; Stage #2: Pyridine-2,6-dicarboxylic acid In methanol Heating; | 78% |
N-Methylnicotinamide
water
copper(II) acetate monohydrate
para-chlorobenzoic acid
Conditions | Yield |
---|---|
for 72h; | 78% |
3,5-dichlorobenzoic acid
N-Methylnicotinamide
water
copper(II) acetate monohydrate
Conditions | Yield |
---|---|
for 72h; | 78% |
Conditions | Yield |
---|---|
In acetonitrile for 96h; Heating; | 76% |
Conditions | Yield |
---|---|
In tetrahydrofuran (N2); solid nicotinic amide was added to THF/Me2S (1/1) soln. of BH2CN; after 20 min solvent was evapd., residue triturated with ether, filtered off, washed with ether and dried in N2 stream; elem. anal.; | 76% |
m-bromobenzoic acid
N-Methylnicotinamide
water
copper(II) acetate monohydrate
Conditions | Yield |
---|---|
for 72h; | 76% |
Conditions | Yield |
---|---|
With potassium hydroxide In acetonitrile | 75% |
The 3-Pyridinecarboxamide,N-methyl-, with the CAS registry number 114-33-0, belongs to the product category of Amide. Its molecular formula is C7H8N2O and its IUPAC name is N-methylpyridine-3-carboxamide. Moreover, this chemical is white to light yellow-beige crystalline powder.
Other characteristics of the 3-Pyridinecarboxamide,N-methyl- can be summarised as followings: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.76; (8)ACD/KOC (pH 7.4): 23.82; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.2 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 37.96 cm3; (15)Molar Volume: 123 cm3; (16)Polarizability: 15.05×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.106 g/cm3; (19)Flash Point: 164.1 °C; (20)Enthalpy of Vaporization: 59.2 kJ/mol; (21)Boiling Point: 347.7 °C at 760 mmHg; (22)Vapour Pressure: 5.3E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(NC)c1cccnc1
2.InChI: InChI=1/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)
3.InChIKey: ZYVXHFWBYUDDBM-UHFFFAOYAC
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