2-Methyl-2-phenyl-m-dithiane

Base Information

• Chemical Name: 2-Methyl-2-phenyl-m-dithiane
• CAS No.: 6331-22-2
• Molecular Formula: C11H14 S2
• Molecular Weight: 210.364
• NSC Number: 47056
• UNII: DKE4TIO6XH
• DSSTox Substance ID: DTXSID30212699
• Nikkaji Number: J450.128D
• Wikidata: Q83087872
• Mol file: 6331-22-2.mol

Synonyms:2-Methyl-2-phenyl-m-dithiane;1,3-Dithiane, 2-methyl-2-phenyl-;m-DITHIANE, 2-METHYL-2-PHENYL-;2-Methyl-2-phenyl-1,3-dithiane;DKE4TIO6XH;NSC 47056;6331-22-2;CMLDBU00003567;Acetophenone trimethylene dithioketal;NSC-47056;Acetophenone, cyclic trimethylene mercaptole;NSC47056;UNII-DKE4TIO6XH;SCHEMBL8064830;DTXSID30212699;2-Phenyl-2-methyl-1,3-dithiane;LS-63125

Chemical Property of 2-Methyl-2-phenyl-m-dithiane

Chemical Property:

• Vapor Pressure: 0.000427mmHg at 25°C
• Boiling Point: 325.8°C at 760 mmHg
• Flash Point: 153.3°C
• Density: 1.118g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 210.05369279
• Heavy Atom Count: 13
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(SCCCS1)C2=CC=CC=C2

Technology Process of 2-Methyl-2-phenyl-m-dithiane

There total 23 articles about 2-Methyl-2-phenyl-m-dithiane 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: 99.57%

1.3-propanedithiol (109-80-8) + acetophenone (98-86-2) → 2-methyl-2-phenyl-[1,3]dithiane (6331-22-2)

Guidance literature:

With amberlyst-15; In acetonitrile; for 1h;

DOI:10.1016/j.tetlet.2007.08.027

Reference yield: 96.0%

1.3-propanedithiol (109-80-8) + 1,1,-diethoxy-1-phenylethane (4316-37-4) → 2-methyl-2-phenyl-[1,3]dithiane (6331-22-2)

Guidance literature:

zirconium(IV) chloride; In dichloromethane; for 0.166667h; Ambient temperature;

DOI:10.1055/s-1999-2609

Reference yield: 94.0%

1.3-propanedithiol (109-80-8) + 2-methyl-2-phenyl-[1,3]dioxane (878-57-9) → 2-methyl-2-phenyl-[1,3]dithiane (6331-22-2)

Guidance literature:

phosphotungstic acid; In Petroleum ether; for 2h; Heating;

DOI:10.1055/s-2002-19300

upstream raw materials:

1.3-propanedithiol

acetophenone

methyl magnesium iodide

2-phenyl-1,3-dithian-2-ylium tetrafluoroborate

Downstream raw materials:

acetophenone

2-nitroacetophenone

2-phenyl-6,7-dihydro-5H-1,4-dithiepine

(1S,2R)-2-Methyl-2-phenyl-[1,3]dithiane 1-oxide

Refernces

• 1、 Bhardwaj, Nivedita,Goel, Bharat,Indra, Arindam,Jain, Shreyans K.,Singh, Ajit Kumar,Tripathi, Nancy. "Ni-NiO heterojunctions: a versatile nanocatalyst for regioselective halogenation and oxidative esterification of aromatics". . p. 14177 - 14183. Retrieved 2021/08/16.
• 2、 Dharpure, Pankaj D.,Bhowmick, Anindita,Warghude, Prakash K.,Bhat, Ramakrishna G.. "Visible-light mediated facile dithiane deprotection under metal free conditions". . . Retrieved 2019/12/09.