N-Methylnicotinamide supplier

Name
N-METHYLNICOTINAMIDE
EINECS 204-046-4
CAS No. 114-33-0
Article Data19
CAS DataBase
Density 1.106 g/cm³
Solubility
Melting Point 102-105 °C(lit.)
Formula C₇H₈N₂O
Boiling Point 347.7 °C at 760 mmHg
Molecular Weight 136.153
Flash Point 164.1 °C
Transport Information
Appearance white to light yellow-beige crystalline powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Nicotinamide,N-methyl- (6CI,7CI,8CI);3-(Methylcarbamoyl)pyridine;3-(N-Methylcarbamoyl)pyridine;N-Methyl-3-pyridinecarboxamide;N-Methylnicotinamide;NSC 66521;Nicotinic acid methylamide;N'-Methylnicotinamide;SR 4415;
PSA 41.99000
LogP 0.83210

Synthetic route

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

: 84738-96-5
C2H7AlClN

: 114-33-0
N-Methylnicotinamide

Conditions

Conditions	Yield
In benzene for 12h; Heating;	90%

: 67-56-1
methanol

: 98-92-0
nicotinamide

: 114-33-0
N-Methylnicotinamide

Conditions

Conditions	Yield
With C54H43ClN3P2Ru(1+)*F6P(1-); caesium carbonate In toluene at 140℃; for 48h; Inert atmosphere; Sealed tube; Green chemistry;	87%

: 59-67-6
nicotinic acid

: 593-51-1
methylamine hydrochloride

: 114-33-0
N-Methylnicotinamide

Conditions

Conditions	Yield
With triethylamine at 20℃; for 0.0166667h;	83%
With silica gel; triethylamine; p-toluenesulfonyl chloride at 20℃; for 0.0166667h;	75%

: 95091-91-1
N-methoxy-N-methylpyridine-3-carboxamide

: 114-33-0
N-Methylnicotinamide

Conditions

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%

: 100-54-9
pyridine-3-carbonitrile

: 67-56-1
methanol

: 114-33-0
N-Methylnicotinamide

Conditions

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%

: 5657-61-4
nicotinyl hydroxamic acid

: 74-89-5
methylamine

: 114-33-0
N-Methylnicotinamide

Conditions

Conditions	Yield
With potassium hexacyanoferrate(III) In aq. phosphate buffer at 20℃; for 2h; pH=7.4;	68%

: 67-56-1
methanol

: 1193-92-6
3-pyridinealdoxime

: 114-33-0
N-Methylnicotinamide

Conditions

Conditions	Yield
With C54H43ClN3P2Ru(1+)*F6P(1-); caesium carbonate In toluene at 140℃; for 48h; Inert atmosphere; Schlenk technique; Green chemistry;	53%

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

: 74-89-5
methylamine

: 114-33-0
N-Methylnicotinamide

: 59-67-6
nicotinic acid

: 74-89-5
methylamine

: 114-33-0
N-Methylnicotinamide

Conditions

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;

: 14104-20-2
silver tetrafluoroborate

: 162379-72-8
dichloro(4,4'-di-tert-butyl-2,2'-bipyridine)palladium(II)

: 114-33-0
N-Methylnicotinamide

: [Pd(bu2bipy)(NC5H4-3-CONHMe)2](BF4)2

Conditions

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%

...Expand

: 15617-18-2, 39958-10-6, 14220-64-5
bis(benzonitrile)palladium(II) dichloride

: 114-33-0
N-Methylnicotinamide

: 376350-98-0
[PdCl2(NC5H4-3-CONHMe)2]

Conditions

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%

: 114-33-0
N-Methylnicotinamide

: 7732-18-5
water

: 6046-93-1
copper(II) acetate monohydrate

: 618-51-9
3-Iodobenzoic acid

: C28H28CuI2N4O8*2H2O

Conditions

Conditions	Yield
for 72h;	88%

...Expand

: 114-33-0
N-Methylnicotinamide

: 38442-51-2
tert-butylmercury chloride

: 97691-24-2
6-tert-Butyl-N-methyl-nicotinamide

Conditions

Conditions	Yield
In dimethyl sulfoxide at 40 - 45℃; Irradiation;	87%
at 40℃; for 20h; Irradiation;	87%

: 111-87-5
octanol

: 114-33-0
N-Methylnicotinamide

: 70136-02-6
n-Octyl nicotinate

Conditions

Conditions	Yield
With cerium(IV) oxide at 175℃; Inert atmosphere; Sealed tube;	87%

: 14104-20-2
silver tetrafluoroborate

: 213270-60-1
(Cp*Ir)2(μ(3)-S)2PdCl2

: 114-33-0
N-Methylnicotinamide

: [(Pd(3-PyCONHMe)2)((η5-C5Me5)Ir)2(μ3-S)2][BF4]2

Conditions

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%

...Expand

: 585-76-2
m-bromobenzoic acid

: 114-33-0
N-Methylnicotinamide

: 7732-18-5
water

: 6046-93-1
copper(II) acetate monohydrate

: C28H26Br2CuN4O7

Conditions

Conditions	Yield
for 72h;	86%

...Expand

3,4-dichlorbenzoic acid: 3,4-dichlorbenzoic acid

: 114-33-0
N-Methylnicotinamide

: 7732-18-5
water

: 6046-93-1
copper(II) acetate monohydrate

: C28H24Cl4CuN4O7*2H2O

Conditions

Conditions	Yield
for 72h;	86%

...Expand

: 114-33-0
N-Methylnicotinamide

: 6046-93-1
copper(II) acetate monohydrate

: 50-30-6
2,6-dichlorobenzoic acid

: C28H24Cl4CuN4O7*2H2O

Conditions

Conditions	Yield
In acetonitrile for 24h;	85%

...Expand

: 455-38-9
3-fluorobenzoic acid

: 114-33-0
N-Methylnicotinamide

: 7732-18-5
water

: 6046-93-1
copper(II) acetate monohydrate

: C28H28CuF2N4O8*2H2O

Conditions

Conditions	Yield
for 72h;	85%

...Expand

: 114-33-0
N-Methylnicotinamide

: 6046-93-1
copper(II) acetate monohydrate

: 50-79-3
2,5-dichlorobenzoic acid

: C28H26Cl4CuN4O8*2H2O

Conditions

Conditions	Yield
In acetonitrile for 24h;	85%

...Expand

: 137846-38-9
{(1,3-bis(diphenylphosphino)propane)ditriflatopalladium(II)}

: 114-33-0
N-Methylnicotinamide

: [Pd(1,3-bis(diphenylphosphino)propane)(NC5H4-3-CONHMe)2](CF3SO3)2

Conditions

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%

: 114-33-0
N-Methylnicotinamide

: 7732-18-5
water

: 6046-93-1
copper(II) acetate monohydrate

: 535-80-8
3-chlorobenzoate

: C28H28Cl2CuN4O8*2H2O

Conditions

Conditions	Yield
for 72h;	84%

...Expand

: 114-33-0
N-Methylnicotinamide

: 1021463-87-5
4-deuterio-N-methylpyridine-3-carboxamide

Conditions

Conditions	Yield
With water-d2 In tetrahydrofuran at 20℃; for 2h;	82%

: 114-33-0
N-Methylnicotinamide

: 6046-93-1
copper(II) acetate monohydrate

: 50-30-6
2,6-dichlorobenzoic acid

: C28H26Cl4CuN4O8*2H2O

Conditions

Conditions	Yield
In acetonitrile for 24h; Solvent;	81%

...Expand

: 145332-52-1
(palladium(II)(triflate)2(bis(diphenylphosphino)methane))

: 114-33-0
N-Methylnicotinamide

: [Pd(bis(diphenylphosphino)methane)(NC5H4-3-CONHMe)2](CF3SO3)2

Conditions

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%

: 50-45-3
2,3-dichlorbenzoic acid

: 114-33-0
N-Methylnicotinamide

: 7732-18-5
water

: 6046-93-1
copper(II) acetate monohydrate

: C28H26Cl4CuN4O8*H2O

Conditions

Conditions	Yield
for 72h;	79%

...Expand

: 114-33-0
N-Methylnicotinamide

: 1021463-88-6
N-methyl-4-iodopyridine-3-carboxamide

Conditions

Conditions	Yield
With iodine In tetrahydrofuran at 20℃; for 2h;	78%

: 499-83-2
Pyridine-2,6-dicarboxylic acid

: 114-33-0
N-Methylnicotinamide

: 6046-93-1
copper(II) acetate monohydrate

: {[Cu(N-methylnicotinamide)(dipicolinate)(H2O)].2H2O}

Conditions

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%

...Expand

: 114-33-0
N-Methylnicotinamide

: 7732-18-5
water

: 6046-93-1
copper(II) acetate monohydrate

: 74-11-3
para-chlorobenzoic acid

: C28H26Cl2CuN4O7

Conditions

Conditions	Yield
for 72h;	78%

...Expand

: 51-36-5
3,5-dichlorobenzoic acid

: 114-33-0
N-Methylnicotinamide

: 7732-18-5
water

: 6046-93-1
copper(II) acetate monohydrate

: C28H26Cl4CuN4O8*2H2O

Conditions

Conditions	Yield
for 72h;	78%

...Expand

: 114-33-0
N-Methylnicotinamide

: 2014-83-7
1,3-Dichloro-2-chloromethyl-benzene

: 1-(2.6-Dichlorbenzyl)-3-(methylaminocarbonyl)-pyridiniumchlorid

Conditions

Conditions	Yield
In acetonitrile for 96h; Heating;	76%

: 114-33-0
N-Methylnicotinamide

: CH3NHCOC5H4N*BH2CN

Conditions

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%

: 585-76-2
m-bromobenzoic acid

: 114-33-0
N-Methylnicotinamide

: 7732-18-5
water

: 6046-93-1
copper(II) acetate monohydrate

: C28H28Br2CuN4O8*2H2O

Conditions

Conditions	Yield
for 72h;	76%

...Expand

: 114-33-0
N-Methylnicotinamide

: 6046-93-1
copper(II) acetate monohydrate

: 62-23-7
4-nitro-benzoic acid

: [Cu(μ-4-nitrobenzoate)2(N-methylnicotinamide)]2

Conditions

Conditions	Yield
With potassium hydroxide In acetonitrile	75%

...Expand

N-Methylnicotinamide Specification

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

Product Name

N-METHYLNICOTINAMIDE

Synthetic route

N-Methylnicotinamide Specification

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