1-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-1-benzazepine

Base Information

• Chemical Name: 1-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-1-benzazepine
• CAS No.: 19673-34-8
• Molecular Formula: C17H17NO2S
• Molecular Weight: 299.3874
• NSC Number: 105653
• DSSTox Substance ID: DTXSID10295829
• Mol file: 19673-34-8.mol

Synonyms:19673-34-8;1-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1h-1-benzazepine;NSC105653;Oprea1_213869;DTXSID10295829;NSC-105653

Chemical Property of 1-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-1-benzazepine

Chemical Property:

• Vapor Pressure: 1.73E-08mmHg at 25°C
• Boiling Point: 455.6°Cat760mmHg
• Flash Point: 229.4°C
• Density: 1.237g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 299.09799996
• Heavy Atom Count: 21
• Complexity: 472

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC=CC3=CC=CC=C32

Technology Process of 1-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-1-benzazepine

There total 2 articles about 1-[(4-Methylphenyl)sulfonyl]-2,3-dihydro-1h-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: 93.0%

5-hydroxy-1-(p-toluenesulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepine (19673-33-7) → 1-(p-toluenesulfonyl)-2,3-dihydro-1H-1-benzazepine (19673-34-8)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 6h; Heating;

DOI:10.1016/S0040-4020(00)00388-4

Reference yield:

→ 1-(p-toluenesulfonyl)-2,3-dihydro-1H-1-benzazepine (19673-34-8)

Guidance literature:

/BRN= 264277/, Toluol-4-sulfonsaeure;

Reference yield: 69.0%

1-(p-toluenesulfonyl)-2,3-dihydro-1H-1-benzazepine (19673-34-8) → cis-4,5-dihydroxy-1-(p-toluenesulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepine

Guidance literature:

With osmium(VIII) oxide; 4-methylmorpholine N-oxide; In water; acetone; tert-butyl alcohol; at 20 ℃;

DOI:10.1016/S0040-4020(00)00388-4

upstream raw materials:

5-hydroxy-1-(p-toluenesulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepine

Downstream raw materials:

(4R,5S)-4,5-dihydroxy-1-(p-toluenesulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepine

(4S,5R)-4,5-dihydroxy-1-(p-toluenesulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepine

acetic acid 5-hydroxy-1-(toluene-4-sulfonyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-4-yl ester

(4S,5R)-4-hydroxy-5-methoxy-1-(p-toluenesulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepine