2-(4-Chlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine

Base Information

• Chemical Name: 2-(4-Chlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
• CAS No.: 60246-82-4
• Molecular Formula: C21H16ClNS
• Molecular Weight: 349.884
• DSSTox Substance ID: DTXSID10369675
• Nikkaji Number: J711.638A

Synonyms:2-(4-chlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine;60246-82-4;ST50982939;DTXSID10369675;AKOS003599366

Chemical Property of 2-(4-Chlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine

Chemical Property:

• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 349.0691984
• Heavy Atom Count: 24
• Complexity: 437

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Technology Process of 2-(4-Chlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine

There total 12 articles about 2-(4-Chlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine 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: 97.0%

3-(4-chlorophenyl)-1-phenylprop-2-en-1-one (956-04-7) + 2-amino-benzenethiol (137-07-5) → 2-(4-chlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine (60246-82-4)

Guidance literature:

With 1-methyl-3H-imidazolium nitrate; at 80 ℃; for 0.75h; Inert atmosphere; Green chemistry;

DOI:10.1002/jhet.1827

Reference yield: 89.0%

4-chlorochalcone (24721-26-4,956-04-7,22252-16-0) + 2-amino-benzenethiol (137-07-5) → 2-(4-chlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine (60246-82-4)

Guidance literature:

tetrafluoroboric acid; silica gel; In methanol; for 5h; Heating;

DOI:10.1016/j.tetlet.2008.04.144

Reference yield: 72.0%

bis(2-nitrophenyl)disulfide (1155-00-6) + 3-(4-chlorophenyl)-1-phenylprop-2-en-1-one (956-04-7) → 2-(4-chlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine (60246-82-4)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; at 20 ℃; for 3h;

upstream raw materials:

4-chlorochalcone

2-amino-benzenethiol

bis(2-nitrophenyl)disulfide

3-(4-chlorophenyl)-1-phenylprop-2-en-1-one

Downstream raw materials:

6-(4-chloro-phenyl)-2,3,4a-triphenyl-5,6-dihydro-4aH-4-oxa-7-thia-11b-aza-dibenzo[a,c]cyclohepten-1-one

4-(4-chlorophenyl)-2-phenoxy-2a-phenyl-2,2a,3,4-tetrahydro-1H-azeto[2,1-d][1,5]benzothiazepin-1-one

ethyl 3a,4-dihydro-3,3a-diphenyl-5-(4-chlorophenyl)-5H-[1,2,4]triazolo[5,4-d][1,5]benzothiazepine-1-carboxylate

ethyl 3a,4-dihydro-3-(4-methylphenyl)-3a-phenyl-5-(4-chlorophenyl)-5H-[1,2,4]triazolo[5,4-d][1,5]benzothiazepine-1-carboxylate

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