(5E)-8-Chloro-5-phenyl-3,4-dihydro-2H-1,6-benzothiazocine

Base Information

• Chemical Name: (5E)-8-Chloro-5-phenyl-3,4-dihydro-2H-1,6-benzothiazocine
• CAS No.: 76293-52-2
• Molecular Formula: C16H14ClNS
• Molecular Weight: 287.813
• DSSTox Substance ID: DTXSID50520304

Synonyms:76293-52-2;DTXSID50520304;(5E)-8-Chloro-5-phenyl-3,4-dihydro-2H-1,6-benzothiazocine

Chemical Property of (5E)-8-Chloro-5-phenyl-3,4-dihydro-2H-1,6-benzothiazocine

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 287.0535483
• Heavy Atom Count: 19
• Complexity: 325

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=NC2=C(C=CC(=C2)Cl)SC1)C3=CC=CC=C3

Technology Process of (5E)-8-Chloro-5-phenyl-3,4-dihydro-2H-1,6-benzothiazocine

There total 3 articles about (5E)-8-Chloro-5-phenyl-3,4-dihydro-2H-1,6-benzothiazocine 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: 54.0%

4-(2-Amino-4-chlorophenylthio)butyrophenone (87696-89-7) → 8-chloro-3,4-dihydro-5-phenyl-2H-1,6-benzothiazocine (76293-52-2)

Guidance literature:

toluene-4-sulfonic acid; In toluene; for 18h; Heating;

DOI:10.1021/jo00175a024

Reference yield:

2-amino-4-chloro-benzenethiol hydrochloride (615-48-5) → 8-chloro-3,4-dihydro-5-phenyl-2H-1,6-benzothiazocine (76293-52-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) sodium methoxide / 1.) methanol, 0.5 h, 2.) 3h, reflux

2: 54 percent / p-toluenesulfonic acid / toluene / 18 h / Heating

With sodium methylate; toluene-4-sulfonic acid; In toluene;

DOI:10.1021/jo00175a024

Reference yield:

4-chloro-1-phenylbutan-1-one (939-52-6) → 8-chloro-3,4-dihydro-5-phenyl-2H-1,6-benzothiazocine (76293-52-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) sodium methoxide / 1.) methanol, 0.5 h, 2.) 3h, reflux

2: 54 percent / p-toluenesulfonic acid / toluene / 18 h / Heating

With sodium methylate; toluene-4-sulfonic acid; In toluene;

DOI:10.1021/jo00175a024

upstream raw materials:

4-(2-Amino-4-chlorophenylthio)butyrophenone

2-amino-4-chloro-benzenethiol hydrochloride

4-chloro-1-phenylbutan-1-one

Downstream raw materials:

6-acetyl-8-chloro-3,4,5,6-tetrahydro-5-phenyl-2h-1,6-benzothiazocine

8-chloro-3,4,5,6-tetrahydro-5-phenyl-2H-1,6-benzothiazocine

6-chloro-3-phenyl-2H-1,4-benzothiazine-Δ^2,α-acetaldehyde

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 76293-52-2 2H-1,6-Benzothiazocine, 8-chloro-3,4-dihydro-5-phenyl-

Send

Send

Metric Ton KG G Pound L ML

Send

Send