1-(Isopropylsulfonyl)-4-methylbenzene

Base Information

• Chemical Name: 1-(Isopropylsulfonyl)-4-methylbenzene
• CAS No.: 51751-71-4
• Molecular Formula: C₁₀H₁₄O₂S
• Molecular Weight: 198.286
• DSSTox Substance ID: DTXSID40355708
• Nikkaji Number: J963.688I
• Wikidata: Q82134750
• Mol file: 51751-71-4.mol

Synonyms:51751-71-4;1-(isopropylsulfonyl)-4-methylbenzene;1-methyl-4-(propane-2-sulfonyl)benzene;1-methyl-4-propan-2-ylsulfonylbenzene;Isopropyl p-tolyl sulfone;p-tolyl isopropylsulfone;isopropyl-p-tolyl sulfone;p-tolyl isopropyl sulfone;isopropyl4-methylphenylsulfone;SCHEMBL178444;isopropyl 4-methylphenyl sulfone;DTXSID40355708;DUJYZGXBCPOPDD-UHFFFAOYSA-N;BCA75171;AKOS006229859;1-methyl-4-(propane-2-sulfonyl)-benzene;FT-0716995;EN300-95342;AB-131/40897205;Z291973752

Chemical Property of 1-(Isopropylsulfonyl)-4-methylbenzene

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 198.07145086
• Heavy Atom Count: 13
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Isopropylsulfonyl)-4-methylbenzene

There total 23 articles about 1-(Isopropylsulfonyl)-4-methylbenzene 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: 88.0%

sodium 4-methylbenzenesulfinate (824-79-3) + isopropyl bromide (75-26-3) → 1-methyl-4-(propane-2-sulfonyl)benzene (51751-71-4,20288-47-5)

Guidance literature:

With 1,10-Phenanthroline; copper ferrite; In N,N-dimethyl-formamide; at 110 ℃; for 12h; Green chemistry;

DOI:10.1002/adsc.201301003

Reference yield: 76.0%

ethyl p-tolyl sulfone (7569-34-8) + carbonic acid dimethyl ester (616-38-6) → 1-methyl-4-(propane-2-sulfonyl)benzene (51751-71-4,20288-47-5)

Guidance literature:

With potassium carbonate; at 210 ℃; for 15h;

Reference yield: 66.0%

1-(isopropylsulfinyl)-4-methylbenzene (1517-74-4,37067-60-0,67529-35-5,50337-53-6) → 1-methyl-4-(propane-2-sulfonyl)benzene (51751-71-4,20288-47-5) + (+)-(R)-isopropyl p-tolyl sulfoxide (1517-74-4) + (-)-(S)-isopropyl (4-tolyl) sulfoxide (1517-74-4,50337-53-6,67529-35-5,37067-60-0)

Guidance literature:

With hydroquinidine-2,5-diphenyl-4,6-pyrimidinediyl diether; dihydrogen peroxide; tungsten(VI) oxide; In tetrahydrofuran; at 25 ℃; for 12h; Title compound not separated from byproducts;

DOI:10.1016/S0957-4166(02)00865-0

upstream raw materials:

sodium 4-methylbenzenesulfinate

isopropyl bromide

2-iodo-propane

acetic acid tert-butyl ester

Downstream raw materials:

4-(isopropylsulfonyl)benzoic acid

(4-chloro-1,1-dimethyl-butyl)-p-tolyl sulfone

imino(isopropyl)(p-tolyl)-λ⁶-sulfanone

2-methyl-1,1-bis-(p-tolyl)prop-1-ene