4-Methylnicotinamide

Base Information

• Chemical Name: 4-Methylnicotinamide
• CAS No.: 7250-52-4
• Molecular Formula: C7H8N2O
• Molecular Weight: 136.153
• Hs Code.: 2933399090
• European Community (EC) Number: 615-775-6
• NSC Number: 30041
• DSSTox Substance ID: DTXSID90222815
• Nikkaji Number: J285.116D
• Wikidata: Q72493324
• ChEMBL ID: CHEMBL1501622
• Mol file: 7250-52-4.mol

Synonyms:4-methylnicotinamide

Chemical Property of 4-Methylnicotinamide

Chemical Property:

• Vapor Pressure: 0.00166mmHg at 25°C
• Melting Point: 102-105 °C
• Refractive Index: 1.561
• Boiling Point: 294.1 °C at 760 mmHg
• PKA: 14.85±0.50(Predicted)
• Flash Point: 131.6 °C
• PSA: 55.98000
• Density: 1.157 g/cm³
• LogP: 1.18920
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• 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:

98%min ^*data from raw suppliers

4-Methylnicotinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=NC=C1)C(=O)N
• Uses: 4-Methylnicotinamide, is an intermediate in the synthesis of various pharmaceutical compounds. It can be used in the preparation of various pyrimidine and pyridine derivatives, possessing antitumor cell activity.

Technology Process of 4-Methylnicotinamide

There total 3 articles about 4-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: 94.0%

3-cyano-4-methylpyridine (5444-01-9) → 4-methyl-3-pyridinecarboxamide (7250-52-4)

Guidance literature:

With water; at 120 ℃; for 22h;

Reference yield: 17.0%

methanol (67-56-1) + nicotinamide (98-92-0,1255150-40-3) → 6-methylnicotinamide (6960-22-1) + 4-methyl-3-pyridinecarboxamide (7250-52-4) + 2-methoxy-3-pyridinecarboxamide (7145-28-0) + 6-methyoxy-3-pyridinecarboxamide (7150-23-4)

Guidance literature:

With sulfuric acid; Irradiation;

DOI:10.1246/bcsj.61.2837

Reference yield:

methanol (67-56-1) + nicotinamide (98-92-0,1255150-40-3) → 6-methylnicotinamide (6960-22-1) + 4-methyl-3-pyridinecarboxamide (7250-52-4)

Guidance literature:

With sulfuric acid; for 0.5h; Irradiation;

DOI:10.1246/bcsj.55.3055

upstream raw materials:

3-cyano-4-methylpyridine

methanol

nicotinamide

Downstream raw materials:

3-amino-4-methylpyridine

((4-methylpyridin-3-yl)methyl)amine

1-benzyl-4-methyl-1,4-dihydronicotinamide

3-cyano-4-methylpyridine