2-(2,3-Dihydro-1,3-benzothiazol-2-yl)-1-phenylethan-1-one

Base Information

• Chemical Name: 2-(2,3-Dihydro-1,3-benzothiazol-2-yl)-1-phenylethan-1-one
• CAS No.: 83068-09-1
• Molecular Formula: C15H13NOS
• Molecular Weight: 255.34
• DSSTox Substance ID: DTXSID40513826

Synonyms:83068-09-1;DTXSID40513826;2-(2,3-Dihydro-1,3-benzothiazol-2-yl)-1-phenylethan-1-one

Chemical Property of 2-(2,3-Dihydro-1,3-benzothiazol-2-yl)-1-phenylethan-1-one

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 255.07178521
• Heavy Atom Count: 18
• Complexity: 301

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CC2NC3=CC=CC=C3S2

Technology Process of 2-(2,3-Dihydro-1,3-benzothiazol-2-yl)-1-phenylethan-1-one

There total 10 articles about 2-(2,3-Dihydro-1,3-benzothiazol-2-yl)-1-phenylethan-1-one 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: 95.0%

N,N'-bis-(β-benzoylvinyl)-2,2'-dithiodianiline (86333-14-4) → 1,3-Benzothiazole (95-16-9) + 2-benzoyl-4H-1,4-benzothiazine (86333-19-9) + 2-(benzoylmethyl)-2,3-dihydrobenzothiazole (83068-09-1) + acetophenone (98-86-2)

Guidance literature:

In methanol; for 20h; Heating;

Reference yield: 59.0%

1-benzoyl-2-(o-aminophenylthio)-2-(trimethylsilyl)ethylene (139475-26-6) → 2-(benzoylmethyl)-2,3-dihydrobenzothiazole (83068-09-1)

Guidance literature:

In methanol; for 6h; Heating;

Reference yield: 56.0%

N-(β-benzoylvinyl)-2-benzoylmethyl-2,3-dihydrobenzothiazole (78121-20-7) → 3-phenylpyrazole (2458-26-6) + 2-(benzoylmethyl)-2,3-dihydrobenzothiazole (83068-09-1)

Guidance literature:

With hydrazine hydrate; In ethanol; 1.) reflux, 3 h, 2.) 5 deg C, 1 d;

DOI:10.1007/BF00955983

upstream raw materials:

N-(β-benzoylvinyl)-2-benzoylmethyl-2,3-dihydrobenzothiazole

N,N'-bis-(β-benzoylvinyl)-2,2'-dithiodianiline

1-benzoyl-2-(o-aminophenylthio)-2-(trimethylsilyl)ethylene

2-amino-benzenethiol

Downstream raw materials:

1,3-Benzothiazole

acetophenone

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