2,3,4,5-tetrahydro-1λ6,4-benzothiazepine 1,1-dioxide

Base Information

• Chemical Name: 2,3,4,5-tetrahydro-1λ6,4-benzothiazepine 1,1-dioxide
• CAS No.: 769858-09-5
• Molecular Formula: C₉H₁₁NO₂S
• Molecular Weight: 197.258
• Mol file: 769858-09-5.mol

Synonyms:

Chemical Property of 2,3,4,5-tetrahydro-1λ6,4-benzothiazepine 1,1-dioxide

Chemical Property:

• Boiling Point: 410.6±45.0 °C(Predicted)
• Density: 1.259±0.06 g/cm3(Predicted)

Purity/Quality:

99% ^*data from raw suppliers

2,3,4,5-Tetrahydrobenzo[f][1,4]thiazepine1,1-dioxide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2,3,4,5-tetrahydro-1λ6,4-benzothiazepine 1,1-dioxide

There total 10 articles about 2,3,4,5-tetrahydro-1λ6,4-benzothiazepine 1,1-dioxide 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: 77.0%

1-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)ethanone (1422496-40-9) → 2,3,4,5-tetrahydro-1λ6,4-benzothiazepine 1,1-dioxide (769858-09-5)

Guidance literature:

With water; sodium hydride; In ethanol; Reflux;

DOI:10.1021/acs.jmedchem.8b01394

Reference yield:

1-(2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)ethanone → 2,3,4,5-tetrahydro-1λ6,4-benzothiazepine 1,1-dioxide (769858-09-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 1 h / 10 - 20 °C

2: water; sodium hydroxide / ethanol / Reflux

With water; 3-chloro-benzenecarboperoxoic acid; sodium hydroxide; In ethanol; dichloromethane;

Reference yield:

Thiosalicylic acid (147-93-3) → 2,3,4,5-tetrahydro-1λ6,4-benzothiazepine 1,1-dioxide (769858-09-5)

Guidance literature:

Multi-step reaction with 6 steps

1: sulfuric acid / methanol / 18 h / 0 °C / Inert atmosphere; Reflux

2: sodium hydride / tetrahydrofuran; N,N-dimethyl-formamide; mineral oil / 0 - 20 °C

3: lithium aluminium tetrahydride / tetrahydrofuran / 18 h / 0 °C / Reflux

4: triethylamine / dichloromethane / 1 h / 0 - 20 °C / Inert atmosphere

5: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 1 h / 10 - 20 °C

6: water; sodium hydroxide / ethanol / Reflux

With lithium aluminium tetrahydride; sulfuric acid; water; sodium hydride; triethylamine; 3-chloro-benzenecarboperoxoic acid; sodium hydroxide; In tetrahydrofuran; methanol; ethanol; dichloromethane; N,N-dimethyl-formamide; mineral oil;

upstream raw materials:

2,3,4,5-tetrahydro-5H-1,4-benzothiazepine hydrochloride

Thiosalicylic acid

Methyl thiosalicylate

3,4-dihydro-1,4-benzothiazepin-5(2H)-one