1-(4-Methylphenyl)-2-(4-methylphenyl)sulfanylethanone

Base Information

• Chemical Name: 1-(4-Methylphenyl)-2-(4-methylphenyl)sulfanylethanone
• CAS No.: 61737-10-8
• Molecular Formula: C16H16OS
• Molecular Weight: 256.36300
• DSSTox Substance ID: DTXSID30400054
• Nikkaji Number: J3.639.557E
• Wikidata: Q82202873

Synonyms:61737-10-8;1-(4-methylphenyl)-2-(4-methylphenyl)sulfanylethanone;Ethanone, 1-(4-methylphenyl)-2-[(4-methylphenyl)thio]-;DTXSID30400054;AKOS000281825;J3.639.557E;A1-05665;alpha-[(4-Methylphenyl)thio]-4'-methylacetophenone

Chemical Property of 1-(4-Methylphenyl)-2-(4-methylphenyl)sulfanylethanone

Chemical Property:

• PSA: 42.37000
• LogP: 4.27840
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 256.09218630
• Heavy Atom Count: 18
• Complexity: 260

Purity/Quality:

1-(4-Methylphenyl)-2-(4-methylphenyl)sulfanylethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)CSC2=CC=C(C=C2)C

Technology Process of 1-(4-Methylphenyl)-2-(4-methylphenyl)sulfanylethanone

There total 8 articles about 1-(4-Methylphenyl)-2-(4-methylphenyl)sulfanylethanone 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: 87.0%

di(p-tolyl) disulfide (103-19-5) + 1,3-bis(p-methylphenyl)-1,3-propanedione (3594-36-3) → 1-(p-tolyl)-2-(p-tolylthio)ethan-1-one (61737-10-8)

Guidance literature:

With oxygen; copper(II) acetate monohydrate; caesium carbonate; In acetonitrile; at 130 ℃; for 24h; Sealed tube;

DOI:10.1002/adsc.201300566

Reference yield: 78.0%

Phosphorsaeure-diethyl-1-(4-methylphenyl)vinyl-ester (18276-76-1) + para-thiocresol (106-45-6) → 1-(p-tolyl)-2-(p-tolylthio)ethan-1-one (61737-10-8)

Guidance literature:

With water; oxygen; at 20 ℃; for 3h; Schlenk technique;

DOI:10.1002/chem.201603041

Reference yield:

para-thiocresol (106-45-6) + 4-(bromoacetyl)toluene (619-41-0) → 1-(p-tolyl)-2-(p-tolylthio)ethan-1-one (61737-10-8)

Guidance literature:

With potassium hydroxide; In methanol;

DOI:10.1002/jlac.19707340104

upstream raw materials:

para-thiocresol

4-(bromoacetyl)toluene

sodium p-thiocresolate

p-methylphenacyl chloride

Downstream raw materials:

2-(toluene-4-sulfonyl)-1-p-tolylethanone

C₁₈H₂₀O₂S

5-(4-Chloro-phenyl)-4-(toluene-4-sulfonyl)-3-p-tolyl-4,5-dihydro-isoxazole

5-Thiophen-2-yl-4-(toluene-4-sulfonyl)-3-p-tolyl-4,5-dihydro-isoxazole

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