6-Methylpicolinic acid-thioamide

Base Information

• Chemical Name: 6-Methylpicolinic acid-thioamide
• CAS No.: 5933-30-2
• Molecular Formula: C7H8 N2 S
• Molecular Weight: 152.22
• Hs Code.: 2933399090
• European Community (EC) Number: 227-680-3
• NSC Number: 524474
• UNII: 7BLS3E7UN0
• DSSTox Substance ID: DTXSID20208061
• Nikkaji Number: J149.542I
• Mol file: 5933-30-2.mol

Synonyms:6-methylpicolinic acid-thioamide;6-MPAT

Chemical Property of 6-Methylpicolinic acid-thioamide

Chemical Property:

• Vapor Pressure: 0.00236mmHg at 25°C
• Melting Point: 103-104 °C
• Boiling Point: 288.3°C at 760 mmHg
• PKA: 11.99±0.29(Predicted)
• Flash Point: 128.2°C
• PSA: 71.00000
• Density: 1.212g/cm³
• LogP: 1.72450
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.04081944
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

6-METHYLPICOLINIC THIONAMIDE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CC=C1)C(=S)N

Technology Process of 6-Methylpicolinic acid-thioamide

There total 2 articles about 6-Methylpicolinic acid-thioamide 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: 81.0%

2-Cyano-6-methylpyridine (1620-75-3) → 6-Methylpyridine-2-carbothiamide (5933-30-2)

Guidance literature:

With 2,3,4,5,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium acetate; sodiumsulfide nonahydrate; In neat (no solvent); at 20 ℃; for 2h; Green chemistry;

DOI:10.1039/c7ra11259a

Reference yield:

2-bromo-6-methylpyridine (5315-25-3) → 6-Methylpyridine-2-carbothiamide (5933-30-2)

Guidance literature:

Multi-step reaction with 2 steps

2: ethanolic NH₃ / Einleiten von H₂S

With ammonia;

DOI:10.1139/v54-065

Reference yield: 60.0%

6-Methylpyridine-2-carbothiamide (5933-30-2) + 2-bromo-1,2-bis(4-methoxyphenyl)ethanone (27895-95-0) → 2-[4,5-Bis-(4-methoxy-phenyl)-thiazol-2-yl]-6-methyl-pyridine (134789-94-9)

Guidance literature:

In acetonitrile; at 60 ℃;

DOI:10.1248/cpb.39.651

upstream raw materials:

2-Cyano-6-methylpyridine

2-bromo-6-methylpyridine

Downstream raw materials:

2-[4,5-Bis-(4-methoxy-phenyl)-thiazol-2-yl]-6-methyl-pyridine