2-(2-Methyl-[1,3]dithiolan-2-yl)-1-phenylethanone

Base Information

• Chemical Name: 2-(2-Methyl-[1,3]dithiolan-2-yl)-1-phenylethanone
• CAS No.: 83075-05-2
• Molecular Formula: C12H14OS2
• Molecular Weight: 238.375
• DSSTox Substance ID: DTXSID40423638
• Nikkaji Number: J1.716.135K
• Wikidata: Q82235885
• Mol file: 83075-05-2.mol

Synonyms:83075-05-2;2-(2-Methyl-[1,3]dithiolan-2-yl)-1-phenylethanone;Ethanone, 2-(2-methyl-1,3-dithiolan-2-yl)-1-phenyl-;DTXSID40423638;XIDQUTSKKIKAMK-UHFFFAOYSA-N;2-Methyl-2-phenacyl-1,3-dithiolane

Chemical Property of 2-(2-Methyl-[1,3]dithiolan-2-yl)-1-phenylethanone

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 238.04860741
• Heavy Atom Count: 15
• Complexity: 228

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: CC1(SCCS1)CC(=O)C2=CC=CC=C2

Technology Process of 2-(2-Methyl-[1,3]dithiolan-2-yl)-1-phenylethanone

There total 2 articles about 2-(2-Methyl-[1,3]dithiolan-2-yl)-1-phenylethanone 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: 96.0%

ethane-1,2-dithiol (540-63-6) + 1-phenylbutan-1,3-dione (93-91-4) → 2-(2-Methyl-1,3-dithiolan-2-yl)acetophenon (83075-05-2)

Guidance literature:

phosphotungstic acid; at 20 ℃; for 0.833333h;

DOI:10.1055/s-2002-19300

Reference yield:

ethane-1,2-dithiol (540-63-6) + 1-phenylbutan-1,3-dione (93-91-4) → 2-(2-Methyl-1,3-dithiolan-2-yl)acetophenon (83075-05-2) + 1-(2-Phenyl-[1,3]dithiolan-2-yl)-propan-2-one (53441-06-8)

Guidance literature:

boron trifluoride diethyl etherate; In dichloromethane; at 0 - 5 ℃; Yield given;

DOI:10.1016/S0040-4020(01)81736-1

Reference yield: 87.0%

2-(2-Methyl-1,3-dithiolan-2-yl)acetophenon (83075-05-2) → (3-methyl-5,6-dihydro-[1,4]dithiin-2-yl)-phenyl-methanone

Guidance literature:

With 1,3,5-trichloro-2,4,6-triazine; dimethyl sulfoxide; In dichloromethane; at 20 ℃; for 1.6h;

DOI:10.1055/s-2003-42459

upstream raw materials:

ethane-1,2-dithiol

1-phenylbutan-1,3-dione

Downstream raw materials:

2-Methyl-2-<β-(trimethylsilyloxy)styryl>-1,3-dithiolan

2-(2-Methyl-1,3-dithiolan-2-yl)-1,1-diphenylethanol

1-phenylbutan-1,3-dione

N-(2,4-Dinitro-phenyl)-N'-[2-(2-methyl-[1,3]dithiolan-2-yl)-1-phenyl-eth-(Z)-ylidene]-hydrazine