Sulfone, butyl p-tolyl

Base Information

• Chemical Name: Sulfone, butyl p-tolyl
• CAS No.: 7569-36-0
• Molecular Formula: C11H16O2S
• Molecular Weight: 212.313
• European Community (EC) Number: 660-171-8
• DSSTox Substance ID: DTXSID40226601
• Nikkaji Number: J471.566G
• Wikidata: Q83106076
• Mol file: 7569-36-0.mol

Synonyms:Sulfone, butyl p-tolyl;7569-36-0;Butyl p-tolyl sulfone;SCHEMBL3013104;DTXSID40226601;AKOS024324658

Chemical Property of Sulfone, butyl p-tolyl

Chemical Property:

• Vapor Pressure: 9.34E-05mmHg at 25°C
• Boiling Point: 349.7°Cat760mmHg
• Flash Point: 192.6°C
• PSA: 42.52000
• Density: 1.077g/cm³
• LogP: 3.64960
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 212.08710092
• Heavy Atom Count: 14
• Complexity: 243

Purity/Quality:

BUTYL P-TOLYL SULFONE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Sulfone, butyl p-tolyl

There total 25 articles about Sulfone, butyl p-tolyl 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: 99.0%

p-toluenesulfonyl fluoride (455-16-3) → 1-(butylsulfonyl)-4-methylbenzene (7569-36-0)

Guidance literature:

In tetrahydrofuran; for 18h; Ambient temperature;

DOI:10.1021/jo00028a053

Reference yield: 96.0%

1-bromo-butane (109-65-9) + 4-tolyl iodide (624-31-7) → 1-(butylsulfonyl)-4-methylbenzene (7569-36-0)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; sodium metabisulfite; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; tin; potassium hydrogenphosphate trihydrate; tetrabutylammomium bromide; In dimethyl sulfoxide; at 100 ℃; for 10h; Solvent; Reagent/catalyst; Catalytic behavior; Kinetics; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201911449

Reference yield: 94.0%

n-butyl 4-methylphenyl sulfide (21784-96-3) → 1-(butylsulfonyl)-4-methylbenzene (7569-36-0)

Guidance literature:

With 2-phenylselenobenzoic acid; dihydrogen peroxide; In methanol; for 120h;

DOI:10.1080/10426509708545580

upstream raw materials:

1-bromo-butane

sodium 4-methylbenzenesulfinate

n-butyl 4-methylphenyl sulfide

C₁₁H₁₈N₂O₂S

Downstream raw materials:

(2E)-1-(2-butenylsulfonyl)-4-methylbenzene

(Z)-1-(but-2-ene-1-sulfonyl)-4-methylbenzene

trans-1-(p-toluenesulfonyl)-1-butene

4-(butane-1-sulfonyl)-benzaldehyde

Refernces

• 1、 Meng, Yingying,Wang, Ming,Jiang, Xuefeng. "Multicomponent Reductive Cross-Coupling of an Inorganic Sulfur Dioxide Surrogate: Straightforward Construction of Diversely Functionalized Sulfones". supporting information. p. 1346 - 1353. Retrieved 2019/12/11.
• 2、 Li, Yiming,Rizvi, S. Aal-e-Ali,Hu, Deqing,Sun, Danwen,Gao, Anhui,Zhou, Yubo,Li, Jia,Jiang, Xuefeng. "Selective Late-Stage Oxygenation of Sulfides with Ground-State Oxygen by Uranyl Photocatalysis". supporting information. p. 13499 - 13506. Retrieved 2019/08/21.