10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, 8-methylthio-, S-(2-(diisopropylamino)ethyl) ester

Base Information

• Chemical Name: 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, 8-methylthio-, S-(2-(diisopropylamino)ethyl) ester
• CAS No.: 35806-01-0
• Molecular Formula: C21H27N3OS3
• Molecular Weight: 433.6536
• DSSTox Substance ID: DTXSID50189339
• Wikidata: Q83061392
• Mol file: 35806-01-0.mol

Synonyms:10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, 8-methylthio-, S-(2-(diisopropylamino)ethyl) ester;35806-01-0;BRN 1041634;2-(Diisopropylamino)ethyl 8-methylthio-1-azaphenothiazine-10-thiolcarboxylate;DTXSID50189339

Chemical Property of 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, 8-methylthio-, S-(2-(diisopropylamino)ethyl) ester

Chemical Property:

• Vapor Pressure: 4.32E-12mmHg at 25°C
• Boiling Point: 548.7°Cat760mmHg
• Flash Point: 285.6°C
• PSA: 112.34000
• Density: 1.28g/cm³
• LogP: 6.44320
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 433.13162601
• Heavy Atom Count: 28
• Complexity: 511

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N(CCSC(=O)N1C2=C(C(=CC=C2)SC)SC3=C1C=CC=N3)C(C)C

Technology Process of 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, 8-methylthio-, S-(2-(diisopropylamino)ethyl) ester

There total 3 articles about 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, 8-methylthio-, S-(2-(diisopropylamino)ethyl) 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:

(3-methylsulfanyl-phenyl)-pyridin-2-yl-amine (106167-23-1) → 8-methylsulfanyl-benzo[b]pyrido[2,3-e][1,4]thiazine-10-carbothioic acid S-(2-diisopropylamino-ethyl) ester (35806-01-0)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfur

3: chlorobenzene / Heating

With sulfur; In chlorobenzene;

DOI:10.1021/jm00292a038

Reference yield:

8-methylsulfanyl-10H-benzo[b]pyrido[2,3-e][1,4]thiazine (117000-77-8) → 8-methylsulfanyl-benzo[b]pyrido[2,3-e][1,4]thiazine-10-carbothioic acid S-(2-diisopropylamino-ethyl) ester (35806-01-0)

Guidance literature:

Multi-step reaction with 2 steps

2: chlorobenzene / Heating

In chlorobenzene;

DOI:10.1021/jm00292a038

Reference yield:

8-methylsulfanyl-benzo[b]pyrido[2,3-e][1,4]thiazine-10-carbonyl chloride + 2-(diisopropylamino)ethanethiol (5842-07-9) → 8-methylsulfanyl-benzo[b]pyrido[2,3-e][1,4]thiazine-10-carbothioic acid S-(2-diisopropylamino-ethyl) ester (35806-01-0)

Guidance literature:

In chlorobenzene; Heating;

DOI:10.1021/jm00292a038

upstream raw materials:

2-(diisopropylamino)ethanethiol

(3-methylsulfanyl-phenyl)-pyridin-2-yl-amine

8-methylsulfanyl-10H-benzo[b]pyrido[2,3-e][1,4]thiazine

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