1-(3-METHYL-4H-1,4-BENZOTHIAZIN-2-YL)ETHAN-1-ONE

Base Information

• Chemical Name: 1-(3-METHYL-4H-1,4-BENZOTHIAZIN-2-YL)ETHAN-1-ONE
• CAS No.: 31645-94-0
• Molecular Formula: C11H11 N O S
• Molecular Weight: 205.28
• Hs Code.: 2934999090
• Mol file: 31645-94-0.mol

Synonyms:Ketone,methyl 3-methyl-4H-1,4-benzothiazin-2-yl (8CI); 4H-1,4-Benzothiazine, ethanonederiv.; 2-Acetyl-3-methyl-4H-1,4-benzothiazine

Chemical Property of 1-(3-METHYL-4H-1,4-BENZOTHIAZIN-2-YL)ETHAN-1-ONE

Chemical Property:

• Melting Point: 194-195°C
• Boiling Point: 325.8±42.0 °C(Predicted)
• PKA: -0.93±0.60(Predicted)
• Density: 1.191±0.06 g/cm3(Predicted)

Purity/Quality:

97% ^*data from raw suppliers

1-(3-METHYL-4H-1,4-BENZOTHIAZIN-2-YL)-1-ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-(3-METHYL-4H-1,4-BENZOTHIAZIN-2-YL)ETHAN-1-ONE

There total 2 articles about 1-(3-METHYL-4H-1,4-BENZOTHIAZIN-2-YL)ETHAN-1-ONE 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: 36.0%

2-amino-benzenethiol (137-07-5) + acetylacetone (123-54-6,81235-32-7) → 1-(3-methyl-4H-1,4-benzo[b][1,4]thiazin-2-yl)ethanone (31645-94-0) + 2-Aminophenyl disulfide (1141-88-4)

Guidance literature:

In ethanol; at 20 ℃;

DOI:10.1080/10426507.2013.855763

Reference yield:

3-chloropentane-2,4-dione (1694-29-7) + 2-amino-benzenethiol (137-07-5) → 3-(2'-Aminophenylthio)-2,4-pentanedione + 1-(3-methyl-4H-1,4-benzo[b][1,4]thiazin-2-yl)ethanone (31645-94-0)

Guidance literature:

With sodium ethanolate; Yield given. Multistep reaction; 1) EtOH, 30 min, 2) overnight;

DOI:10.1007/BF00814138

Reference yield: 86.0%

1-(3-methyl-4H-1,4-benzo[b][1,4]thiazin-2-yl)ethanone (31645-94-0) → 2-(3,5-dimethyl-1H-pyrazol-4-ylsulfanyl)phenylamine (150536-99-5)

Guidance literature:

With hydrazine hydrate; In ethanol; for 1h; Heating;

DOI:10.1007/BF00814138

upstream raw materials:

3-chloropentane-2,4-dione

2-amino-benzenethiol

acetylacetone

Downstream raw materials:

2-(3,5-dimethyl-1H-pyrazol-4-ylsulfanyl)phenylamine

C₁₈H₁₈N₄S₂

C₁₈H₁₇ClN₄S₂

C₁₉H₂₀N₄S₂

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