2-Methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine

Base Information

• Chemical Name: 2-Methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine
• CAS No.: 717917-14-1
• Molecular Formula: C₁₉H₁₉N₃O₂S
• Molecular Weight: 353.445
• Mol file: 717917-14-1.mol

Synonyms:2-methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine;

Chemical Property of 2-Methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine

Chemical Property:

• Melting Point: 111-112 °C
• Boiling Point: 639.471 °C at 760 mmHg
• Flash Point: 340.54 °C
• PSA: 74.44000
• Density: 1.328 g/cm³
• LogP: 4.59070

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine

There total 7 articles about 2-Methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine 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: 28.0%

4-bromo-1-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one (29489-04-1) + acetamidine hydrochloride (124-42-5) → 2-methyl-6-[(4-methylphenyl)sulfonyl]-5,6-dihydro-4H[1,3]oxazolo[4,5-d][1]benzazepine + 2-methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine (717917-14-1)

Guidance literature:

With potassium carbonate; In chloroform; for 96h; Heating;

DOI:10.3987/COM-04-10025

Reference yield:

1-tosyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one (24310-36-9) → 2-methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine (717917-14-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / pyridinium hydrobromide perbromide / CHCl₃ / 1 h / 15 - 30 °C

2: 28 percent / potassium carbonate / CHCl₃ / 96 h / Heating

With pyridinium hydrobromide perbromide; potassium carbonate; In chloroform;

DOI:10.3987/COM-04-10025

Reference yield:

methyl N-tosylanthranilate (50998-74-8) → 2-methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine (717917-14-1)

Guidance literature:

Multi-step reaction with 5 steps

1: 98 percent / potassium carbonate; potassium iodide / butan-2-one / 12 h / Heating

2: 93 percent / potassium t-butoxide / dimethylformamide / 2 h / 0 - 5 °C

3: 97 percent / acetic acid; cc. HCl / 11 h / 80 °C

4: 89 percent / pyridinium hydrobromide perbromide / CHCl₃ / 1 h / 15 - 30 °C

5: 28 percent / potassium carbonate / CHCl₃ / 96 h / Heating

With hydrogenchloride; potassium tert-butylate; pyridinium hydrobromide perbromide; potassium carbonate; acetic acid; potassium iodide; In chloroform; N,N-dimethyl-formamide; butanone;

DOI:10.3987/COM-04-10025

upstream raw materials:

4-bromo-1-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one

acetamidine hydrochloride

methyl N-tosylanthranilate

1-tosyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one

Downstream raw materials:

{4-[(2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl]phenyl}amine

conivaptan hydrochloride

2-methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine