Benzene, 1-[(S)-(4-methylphenyl)sulfinyl]-2-(2-phenylethyl)-

Base Information

• Chemical Name: Benzene, 1-[(S)-(4-methylphenyl)sulfinyl]-2-(2-phenylethyl)-
• CAS No.: 835626-64-7
• Molecular Formula: C21H20OS
• Molecular Weight: 320.455
• DSSTox Substance ID: DTXSID80479598
• Wikidata: Q82313715

Synonyms:835626-64-7;Benzene, 1-[(S)-(4-methylphenyl)sulfinyl]-2-(2-phenylethyl)-;DTXSID80479598

Chemical Property of Benzene, 1-[(S)-(4-methylphenyl)sulfinyl]-2-(2-phenylethyl)-

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 320.12348643
• Heavy Atom Count: 23
• Complexity: 366

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)C2=CC=CC=C2CCC3=CC=CC=C3
• Isomeric SMILES: CC1=CC=C(C=C1)[S@](=O)C2=CC=CC=C2CCC3=CC=CC=C3

Technology Process of Benzene, 1-[(S)-(4-methylphenyl)sulfinyl]-2-(2-phenylethyl)-

There total 2 articles about Benzene, 1-[(S)-(4-methylphenyl)sulfinyl]-2-(2-phenylethyl)- 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: 93.0%

(S)-2-methyl-1-(p-tolylsulfinyl)benzene (10381-68-7,42872-16-2,78821-95-1,1517-78-8) + benzyl bromide (100-39-0) → (S)-1-(2-phenylethyl)-2-(p-tolylsulfinyl)benzene (835626-64-7)

Guidance literature:

(S)-2-methyl-1-(p-tolylsulfinyl)benzene; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

benzyl bromide; In tetrahydrofuran; hexane; at -78 ℃; for 0.0166667h;

DOI:10.1021/ol048054r

Reference yield:

(S)-2-methyl-1-(p-tolylsulfinyl)benzene (10381-68-7,42872-16-2,78821-95-1,1517-78-8) → (S)-1-(2-phenylethyl)-2-(p-tolylsulfinyl)benzene (835626-64-7)

Guidance literature:

With lithium diisopropyl amide;

DOI:10.1080/10426500590913366

Reference yield: 77.0%

(E)-4-[2-(phenylsulfonyl)vinyl]benzonitrile (125951-06-6) + (S)-1-(2-phenylethyl)-2-(p-tolylsulfinyl)benzene (835626-64-7) → 4-((2S,3R)-3-(2-((S)-p-tolylsulfinyl)phenyl)-4-phenyl-1-(phenylsulfonyl)butan-2-yl)benzonitrile (1245924-64-4)

Guidance literature:

(S)-1-(2-phenylethyl)-2-(p-tolylsulfinyl)benzene; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 0.166667h;

(E)-4-[2-(phenylsulfonyl)vinyl]benzonitrile; In tetrahydrofuran; hexane; at -78 ℃; for 0.0166667h; stereoselective reaction;

DOI:10.1002/chem.201001006

upstream raw materials:

(S)-2-methyl-1-(p-tolylsulfinyl)benzene

benzyl bromide

Downstream raw materials:

(1R)-2-phenyl-1-[2-(p-tolylsulfanyl)phenyl]ethan-1-ol

(S_S)-(2-[(R)-3-methyl-1-phenylpenta-3,4-dien-2-yl]phenyl)-p-tolylsulfoxide

C₃₀H₂₈F₃NO₂S

(-)-(2S,3S)-3-benzyl-1-(4-methoxyphenyl)-2-(trifluoromethyl)indoline

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