2-Methylnicotinamide

Base Information

• Chemical Name: 2-Methylnicotinamide
• CAS No.: 58539-65-4
• Molecular Formula: C7H8N2O
• Molecular Weight: 136.153
• Hs Code.: 2933399090
• UNII: ELT7L45NHX
• ChEMBL ID: CHEMBL2064704
• DSSTox Substance ID: DTXSID80482082
• Metabolomics Workbench ID: 49738
• Nikkaji Number: J463.625B
• Wikidata: Q27136939
• Mol file: 58539-65-4.mol

Synonyms:2-methylnicotinamide;58539-65-4;2-methylpyridine-3-carboxamide;2-Methyl-nicotinamide;3-Pyridinecarboxamide, 2-methyl-;ELT7L45NHX;CHEBI:68440;MFCD09909457;3-Pyridinecarboxamide,2-methyl-(9CI);methylnicotinamide;UNII-ELT7L45NHX;SCHEMBL129457;2-methyl-3-pyridinecarboxamide;CHEMBL2064704;DTXSID80482082;JRYYVMDEUJQWRO-UHFFFAOYSA-N;AKOS006283936;AM85833;SY021109;TS-01749;CS-0061159;FT-0757483;NS00014700;A26205;J-510067;Q27136939

Chemical Property of 2-Methylnicotinamide

Chemical Property:

• Vapor Pressure: 0.006mmHg at 25°C
• Melting Point: 158 °C
• Refractive Index: 1.561
• Boiling Point: 271.854ºC at 760 mmHg
• PKA: 14.85±0.50(Predicted)
• Flash Point: 118.213ºC
• PSA: 55.98000
• Density: 1.157g/cm3
• LogP: 1.18920
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly, Sonicated)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.063662883
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

2-Methylnicotinamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=N1)C(=O)N
• Uses: 2-Methylnicotinamide (~12% inorganics) can be used as JAK inhibitors to treat autoimmune disease or cancer.

Technology Process of 2-Methylnicotinamide

There total 9 articles about 2-Methylnicotinamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.0%

methyl 2-methylnicotinate (65719-09-7) → 2-methylnicotinamide (58539-65-4)

Guidance literature:

With ammonium hydroxide; for 120h;

DOI:10.1139/v95-068

Reference yield: 76.0%

2-methylnicotinic acid (3222-56-8) → 2-methylnicotinamide (58539-65-4)

Guidance literature:

With ammonia; N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 0 ℃;

Reference yield: 71.0%

2-methylnicotinoyl chloride (169229-06-5) → 2-methylnicotinamide (58539-65-4)

Guidance literature:

With ammonia; In dichloromethane; at -30 ℃; for 18h;

upstream raw materials:

ethyl 2-methyl nicotinate

methyl 2-methylnicotinate

pyridine

2-methylnicotinic acid imidazolide

Downstream raw materials:

2-methyl-3-pyridinamine

2-methyl-nicotinonitrile

1,6-naphthyridine-5(6H)-one

C₂₃H₂₀N₂O₂