4-Methylquinoline-2-carboxamide

Base Information

• Chemical Name: 4-Methylquinoline-2-carboxamide
• CAS No.: 30958-79-3
• Molecular Formula: C₁₁H₁₀N₂O
• Molecular Weight: 186.213
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID80184938
• Nikkaji Number: J1.833.429A
• Wikidata: Q83055881
• Mol file: 30958-79-3.mol

Synonyms:4-methylquinoline-2-carboxamide;30958-79-3;2-Quinolinecarboxamide, 4-methyl-;4-Methyl-2-quinolinecarboxamide;DTXSID80184938;SB67855;FT-0759498

Chemical Property of 4-Methylquinoline-2-carboxamide

Chemical Property:

• Vapor Pressure: 4.3E-06mmHg at 25°C
• Melting Point: 139.5-140.5 °C
• Boiling Point: 383.7°C at 760 mmHg
• PKA: 14.93±0.30(Predicted)
• Flash Point: 185.9°C
• PSA: 55.98000
• Density: 1.227g/cm³
• LogP: 2.34240
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.079312947
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

98.5% ^*data from raw suppliers

4-Methylquinoline-2-carboxamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC2=CC=CC=C12)C(=O)N

Technology Process of 4-Methylquinoline-2-carboxamide

There total 6 articles about 4-Methylquinoline-2-carboxamide 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: 84.0%

C6H4NCH2CHCCH2 (491-35-0) + formamide (77287-34-4,77287-35-5,60100-09-6) → 4-methylquinoline-2-carboxamide (30958-79-3)

Guidance literature:

With iron(II) sulfate; hydroxylamine-O-sulfonic acid; at 20 ℃; for 4h;

DOI:10.1039/c39830000916

Reference yield: 76.0%

C6H4NCH2CHCCH2 (491-35-0) + oxamic acid (471-47-6) → 4-methylquinoline-2-carboxamide (30958-79-3)

Guidance literature:

With ammonium peroxydisulfate; In water; dimethyl sulfoxide; at 40 ℃; for 16h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.9b02679

Reference yield: 64.0%

(4-methyl-quinolin-2-yl)-methanol (33787-85-8) → 4-methylquinoline-2-carboxamide (30958-79-3)

Guidance literature:

With tert.-butylhydroperoxide; In water; at 100 ℃; for 12h;

DOI:10.1002/ejoc.201701321

upstream raw materials:

C₆H₄NCH₂CHCCH₂

formamide

semicarbazide hydrochloride

(4-methyl-quinolin-2-yl)-methanol