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N-Methylnicotinamide

  • Name N-Methylnicotinamide
  • EINECS204-046-4
  • CAS No. 114-33-0
  • Density1.106 g/cm3
  • PSA41.99000
  • LogP0.83210
  • SolubilityN/A
  • Melting Point102-105 °C(lit.)
  • FormulaC7H8N2O
  • Boiling Point347.7 °C at 760 mmHg
  • Molecular Weight136.153
  • Flash Point164.1 °C
  • Transport InformationN/A
  • Appearancewhite to light yellow-beige crystalline powder
  • Safety26-36
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 114-33-0 (N-METHYLNICOTINAMIDE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data19

N-Methylnicotinamide Synthetic route

614-18-6

3-pyridinecarboxylic acid ethyl ester

84738-96-5

C2H7AlClN

114-33-0

N-Methylnicotinamide

Conditions
ConditionsYield
In benzene for 12h; Heating;90%
67-56-1

methanol

98-92-0

nicotinamide

114-33-0

N-Methylnicotinamide

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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%

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

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