2-Mercapto-4,6-dimethylnicotinic acid

Base Information

• Chemical Name: 2-Mercapto-4,6-dimethylnicotinic acid
• CAS No.: 54364-30-6
• Molecular Formula: C8H9 N O2 S
• Molecular Weight: 183.231
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60427875
• Mol file: 54364-30-6.mol

Synonyms:2-mercapto-4,6-dimethylnicotinic acid;54364-30-6;4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carboxylic Acid;4,6-dimethyl-2-sulfanylpyridine-3-carboxylic acid;2-MERCAPTO-4,6-DIMETHYLNICOTINICACID;HMS1784E05;SCHEMBL11732815;DTXSID60427875;AKOS009028995;CS-0234663;EN300-14531;F2113-0114

Chemical Property of 2-Mercapto-4,6-dimethylnicotinic acid

Chemical Property:

• Vapor Pressure: 0.00207mmHg at 25°C
• Boiling Point: 258.1°C at 760 mmHg
• Flash Point: 109.9°C
• PSA: 88.99000
• LogP: 1.68530
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 183.03539970
• Heavy Atom Count: 12
• Complexity: 315

Purity/Quality:

99% ^*data from raw suppliers

4,6-Dimethyl-2-sulfanylpyridine-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=S)N1)C(=O)O)C

Technology Process of 2-Mercapto-4,6-dimethylnicotinic acid

There total 5 articles about 2-Mercapto-4,6-dimethylnicotinic acid 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:

2-acetyl-2,5,7-trimethyl-2,3-dihydropyrido<3,2-e>-1,3-thiazin-4-one (97055-43-1) → 4,6-dimethyl-2-mercaptonicotinic acid (54364-30-6)

Guidance literature:

With hydrogenchloride; In water; for 4h; Heating;

Reference yield:

2-benzoyl-5,7-dimethyl-2,3-dihydropyrido<3,2-e>-1,3-thiazin-4-one (97065-09-3) → 4,6-dimethyl-2-mercaptonicotinic acid (54364-30-6)

Guidance literature:

With hydrogenchloride; In water; for 4h; Heating;

Reference yield:

2H-2-phenacyl-4,6-dimethylpyrido<3,2-d>isothiazolin-3-one (97055-44-2) → 4,6-dimethyl-2-mercaptonicotinic acid (54364-30-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 3.9 g / N(C₂H₅)3 / toluene / 2 h / Heating; ring expansion

2: 0.4 g / 10percent HCl / H₂O / 4 h / Heating

With hydrogenchloride; triethylamine; In water; toluene;

upstream raw materials:

2-acetyl-2,5,7-trimethyl-2,3-dihydropyrido<3,2-e>-1,3-thiazin-4-one

2-benzoyl-5,7-dimethyl-2,3-dihydropyrido<3,2-e>-1,3-thiazin-4-one

2H-2-phenacyl-4,6-dimethylpyrido<3,2-d>isothiazolin-3-one