1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one

Base Information

• Chemical Name: 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one
• CAS No.: 15084-80-7
• Molecular Formula: C13H18 O S
• Molecular Weight: 222.3464
• NSC Number: 108939
• DSSTox Substance ID: DTXSID40934072
• Wikidata: Q82909916

Synonyms:1-[(4-tert-butylphenyl)sulfanyl]propan-2-one;15084-80-7;NSC108939;DTXSID40934072;AKOS008909328;NSC-108939;EN300-394777

Chemical Property of 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one

Chemical Property:

• Vapor Pressure: 0.000748mmHg at 25°C
• Boiling Point: 306.9°Cat760mmHg
• Flash Point: 140.4°C
• Density: 1.02g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 222.10783637
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CSC1=CC=C(C=C1)C(C)(C)C

Technology Process of 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one

There total 2 articles about 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-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: 82.0%

2,2,6,6-Tetramethyl-1-piperidinyloxy free radical (2564-83-2,45842-10-2,126517-51-9,25657-03-8,26933-82-4,54637-06-8,64104-42-3) + 4-t-butylbenzenethiol (2396-68-1) → 1-((4-methoxyphenyl)thio)propan-2-one (15084-80-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl acetamide; at 150 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c9ob00018f

Reference yield:

chloroacetone (78-95-5) + 4-t-butylbenzenethiol (2396-68-1) → 1-((4-methoxyphenyl)thio)propan-2-one (15084-80-7)

Guidance literature:

With ethanol; sodium; Yield given. Multistep reaction; 1.) r.t., 0.5 h, 2.) ethanol, 2 h;

Reference yield: 62.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-((4-methoxyphenyl)thio)propan-2-one (15084-80-7) + morpholin hydrochloride (10024-89-2) → 1-(4-tert-Butyl-phenylsulfanyl)-4-morpholin-4-yl-butan-2-one; hydrochloride

Guidance literature:

With hydrogenchloride; In ethanol; for 5h; Heating;

upstream raw materials:

chloroacetone

4-t-butylbenzenethiol

2,2,6,6-Tetramethyl-1-piperidinyloxy free radical

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