2-(4-Methylanilino)-4-pyrido[3,2-e][1,3]thiazinone

Base Information

• Chemical Name: 2-(4-Methylanilino)-4-pyrido[3,2-e][1,3]thiazinone
• CAS No.: 89374-39-0
• Molecular Formula: C14H11N3OS
• Molecular Weight: 269.327
• DSSTox Substance ID: DTXSID60359586
• Wikidata: Q27208887
• ChEMBL ID: CHEMBL1481930

Synonyms:89374-39-0;2-(4-methylanilino)-4-pyrido[3,2-e][1,3]thiazinone;2-(4-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one;BAS 09531330;2-[(4-methylphenyl)amino]-4H-pyrido[3,2-e][1,3]thiazin-4-one;MLS000064990;ChemDiv2_001928;SCHEMBL7099764;CHEMBL1481930;DTXSID60359586;CHEBI:120750;HMS1374H14;HMS2485P17;STK335378;AKOS000585926;CCG-275116;SMR000078324;Pyrido[3,2-E][1,3]thiazin-4-one, 2-p-tolylamino-;Q27208887;2-(4-methylanilino)-4H-pyrido[3,2-e]-1,3-thiazin-4-one;2-(4-TOLUIDINO)-4H-PYRIDO[3,2-E][1,3]THIAZIN-4-ONE

Chemical Property of 2-(4-Methylanilino)-4-pyrido[3,2-e][1,3]thiazinone

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 269.06228316
• Heavy Atom Count: 19
• Complexity: 377

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC2=NC(=O)C3=C(S2)N=CC=C3

Technology Process of 2-(4-Methylanilino)-4-pyrido[3,2-e][1,3]thiazinone

There total 4 articles about 2-(4-Methylanilino)-4-pyrido[3,2-e][1,3]thiazinone 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: 60.0%

1-(2-chloronicotinoyl)-3-(4-methylphenyl)thiourea (89374-27-6) → 2-(4-methylphenyl)amino-4H-pyrido[3,2-e][1,3]thiazin-4-one (89374-39-0)

Guidance literature:

In ethanol; for 2h; Heating;

DOI:10.1135/cccc19833315

Reference yield:

2-chloronicotinic acid (2942-59-8) → 2-(4-methylphenyl)amino-4H-pyrido[3,2-e][1,3]thiazin-4-one (89374-39-0)

Guidance literature:

Multi-step reaction with 4 steps

1: thionyl chloride / 4 h / Reflux

2: acetone / 0.5 h / 20 °C

3: acetone / 4.5 h / 20 °C

4: ethanol / 0.5 h / Reflux

With thionyl chloride; In ethanol; acetone;

Reference yield:

2-Chloronicotinoyl chloride (49609-84-9) → 2-(4-methylphenyl)amino-4H-pyrido[3,2-e][1,3]thiazin-4-one (89374-39-0)

Guidance literature:

Multi-step reaction with 3 steps

1: acetone / 0.08 h / 40 °C

2: 60 percent / acetone / 0.5 h / 20 °C

3: 60 percent / ethanol / 2 h / Heating

In ethanol; acetone;

DOI:10.1135/cccc19833315

upstream raw materials:

1-(2-chloronicotinoyl)-3-(4-methylphenyl)thiourea

2-Chloronicotinoyl chloride

2-Chloronicotinoyl Isothiocyanate

2-chloronicotinic acid

Downstream raw materials:

2-[N-benzyl-N-(4-methylphenyl)amino]-4H-pyrido[3,2-e]-1,3-thiazin-4-one

2-[N-butyl-N-(4-methylphenyl)amino]-4H-pyrido[3,2-e]-1,3-thiazin-4-one

2-(p-Tolylimino)-3-methyl-4-oxopyrido<3,2-e>-1,3-thiazine

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