2H-Pyrido(3,2-e)(1,3)thiazine-5-carboxylic acid, 3,4-dihydro-2-(methylimino)-7-methyl-4-oxo-, methyl ester

Base Information

• Chemical Name: 2H-Pyrido(3,2-e)(1,3)thiazine-5-carboxylic acid, 3,4-dihydro-2-(methylimino)-7-methyl-4-oxo-, methyl ester
• CAS No.: 82140-61-2
• Molecular Formula: C₁₁H₁₁N₃O₃S
• Molecular Weight: 265.293
• DSSTox Substance ID: DTXSID90231583
• Nikkaji Number: J66.680G
• Wikidata: Q83112523
• Mol file: 82140-61-2.mol

Synonyms:2H-Pyrido(3,2-e)(1,3)thiazine-5-carboxylic acid, 3,4-dihydro-2-(methylimino)-7-methyl-4-oxo-, methyl ester;82140-61-2;DTXSID90231583;LS-134286;3,4-Dihydro-7-methyl-2-(methylimino)-4-oxo-2H-pyrido[3,2-e][1,3]thiazine-5-carboxylic acid methyl ester

Chemical Property of 2H-Pyrido(3,2-e)(1,3)thiazine-5-carboxylic acid, 3,4-dihydro-2-(methylimino)-7-methyl-4-oxo-, methyl ester

Chemical Property:

• Vapor Pressure: 3.68E-09mmHg at 25°C
• Boiling Point: 474.2°Cat760mmHg
• Flash Point: 240.6°C
• Density: 1.47g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 265.05211239
• Heavy Atom Count: 18
• Complexity: 399

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C(=N1)SC(=NC2=O)NC)C(=O)OC

Technology Process of 2H-Pyrido(3,2-e)(1,3)thiazine-5-carboxylic acid, 3,4-dihydro-2-(methylimino)-7-methyl-4-oxo-, methyl ester

There total 5 articles about 2H-Pyrido(3,2-e)(1,3)thiazine-5-carboxylic acid, 3,4-dihydro-2-(methylimino)-7-methyl-4-oxo-, methyl ester 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-hydroxy-6-methylpyridine-3,4-dicarboxylic acid (2860-55-1) → 3H-2-methylimino-7-methyl-4-oxopyrido<3,2-e>-1,3-thiazine-5-carboxylic acid methyl ester (82140-61-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) POCl₃, PCl₅ / 1.) reflux, 2 h, 2.) reflux, 2 h

2: hydrogen chloride / methanol / 3.5 h / Heating

3: aq. ammonia

With hydrogenchloride; ammonium hydroxide; phosphorus pentachloride; trichlorophosphate; In methanol;

Reference yield:

dimethyl 2-chloro-6-methylpyridine-3,4-dicarboxylate (82140-59-8) → 3H-2-methylimino-7-methyl-4-oxopyrido<3,2-e>-1,3-thiazine-5-carboxylic acid methyl ester (82140-61-2)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen chloride / methanol / 3.5 h / Heating

2: aq. ammonia

With hydrogenchloride; ammonium hydroxide; In methanol;

Reference yield:

2-Chloro-6-methyl-pyridine-3,4-dicarboxylic acid 4-methyl ester (82140-73-6) → 3H-2-methylimino-7-methyl-4-oxopyrido<3,2-e>-1,3-thiazine-5-carboxylic acid methyl ester (82140-61-2)

Guidance literature:

Multi-step reaction with 4 steps

1: thionyl chloride / 1.) room temperature, 1 h, 2.) reflux 2 h

2: benzene / 1 h / Ambient temperature

3: hydrogen chloride / methanol / 3.5 h / Heating

4: aq. ammonia

With hydrogenchloride; ammonium hydroxide; thionyl chloride; In methanol; benzene;

upstream raw materials:

2-hydroxy-6-methylpyridine-3,4-dicarboxylic acid

dimethyl 2-chloro-6-methylpyridine-3,4-dicarboxylate

2-Chloro-6-methyl-pyridine-3,4-dicarboxylic acid 4-methyl ester

Refernces