2,2-Dimethyl-3-(dimethylamino)-4'-(methylthio)-propiophenone

Base Information

• Chemical Name: 2,2-Dimethyl-3-(dimethylamino)-4'-(methylthio)-propiophenone
• CAS No.: 53207-37-7
• Molecular Formula: C₁₄H₂₁NOS
• Molecular Weight: 251.393
• DSSTox Substance ID: DTXSID60967726
• Wikidata: Q82950336
• Mol file: 53207-37-7.mol

Synonyms:1-propanone, 3-(dimethylamino)-2,2-dimethyl-1-[4-(methylthio)phenyl]-;BRN 2846701;54076-93-6;DTXSID60967726;2,2-Dimethyl-3-(dimethylamino)-4'-(methylthio)-propiophenone;Propiophenone, 2,2-dimethyl-3-(dimethylamino)-4'-(methylthio)-;3-(DIMETHYLAMINO)-2,2-DIMETHYL-1-[4-(METHYLSULFANYL)PHENYL]PROPAN-1-ONE

Chemical Property of 2,2-Dimethyl-3-(dimethylamino)-4'-(methylthio)-propiophenone

Chemical Property:

• Vapor Pressure: 1.52E-05mmHg at 25°C
• Boiling Point: 365.9°Cat760mmHg
• Flash Point: 175.1°C
• Density: 1.05g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 251.13438547
• Heavy Atom Count: 17
• Complexity: 255

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(CN(C)C)C(=O)C1=CC=C(C=C1)SC

Technology Process of 2,2-Dimethyl-3-(dimethylamino)-4'-(methylthio)-propiophenone

There total 2 articles about 2,2-Dimethyl-3-(dimethylamino)-4'-(methylthio)-propiophenone 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:

methyl-phenyl-thioether (100-68-5) → 3-Dimethylamino-2,2-dimethyl-1-(4-methylsulfanyl-phenyl)-propan-1-one (53207-37-7)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃

With aluminium trichloride;

DOI:10.1021/jm00254a008

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-methyl-1-(4-(methylthio)phenyl)-propan-1-one (53207-58-2) + N,N-dimethylammonium chloride (506-59-2) → 3-Dimethylamino-2,2-dimethyl-1-(4-methylsulfanyl-phenyl)-propan-1-one (53207-37-7)

Guidance literature:

DOI:10.1021/jm00254a008

Reference yield:

3-Dimethylamino-2,2-dimethyl-1-(4-methylsulfanyl-phenyl)-propan-1-one (53207-37-7) → 3-Dimethylamino-1-(4-methanesulfonyl-phenyl)-2,2-dimethyl-propan-1-one

Guidance literature:

With potassium permanganate; sulfuric acid;

DOI:10.1021/jm00254a008

upstream raw materials:

formaldehyd

2-methyl-1-(4-(methylthio)phenyl)-propan-1-one

N,N-dimethylammonium chloride

methyl-phenyl-thioether

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