Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide

Base Information

• Chemical Name: Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide
• CAS No.: 80008-60-2
• Molecular Formula: C₁₃H₁₀N₂OS
• Molecular Weight: 242.301
• Mol file: 80008-60-2.mol

Synonyms:

Chemical Property of Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide

Chemical Property:

• Vapor Pressure: 1.79E-10mmHg at 25°C
• Boiling Point: 508.9°Cat760mmHg
• Flash Point: 261.6°C
• Density: 1.37g/cm³

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide

There total 4 articles about Pyrrolo[2,1-d][1,5]benzothiazepine-6-carboxamide 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: 73.0%

pirrolo<2,1-d><1,5>benzotiazepin-5-carbonitrile (80008-59-9) → pirrolo<2,1-d><1,5>benzotiazepin-5-carbossamide (80008-60-2)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 1.33333h; Heating;

Reference yield: 53.3%

1-(2-cianometiltiofenil)pirrolo-2-carbaldeide (80008-58-8) → pirrolo<2,1-d><1,5>benzotiazepin-5-carbossamide (80008-60-2)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 1h; Heating;

Reference yield:

1-(2-mercaptophenyl)-pyrrole (43153-76-0) → pirrolo<2,1-d><1,5>benzotiazepin-5-carbossamide (80008-60-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 68.7 percent / sodium / ethanol / 1 h / Ambient temperature

2: 1.) POCl₃ / 1.) 0-5 deg C then room temp. 15 min., 2.) DMF, 4 h., 40 deg C

3: piperidine / benzene / 4 h / Heating

4: 73 percent / KOH / ethanol; H₂O / 1.33 h / Heating

With piperidine; potassium hydroxide; sodium; trichlorophosphate; In ethanol; water; benzene;

upstream raw materials:

pirrolo<2,1-d><1,5>benzotiazepin-5-carbonitrile

1-(2-cianometiltiofenil)pirrolo-2-carbaldeide

1-(2-mercaptophenyl)-pyrrole

N-(2-cyanomethylthiophenyl)pyrrole

Refernces