1-Methyl-4-[(R)-(1-methylethyl)sulfinyl]benzene

Base Information

• Chemical Name: 1-Methyl-4-[(R)-(1-methylethyl)sulfinyl]benzene
• CAS No.: 1517-74-4
• Molecular Formula: C10H14OS
• Molecular Weight: 182.287
• DSSTox Substance ID: DTXSID401243055
• Mol file: 1517-74-4.mol

Synonyms:1-Methyl-4-[(R)-(1-methylethyl)sulfinyl]benzene;SCHEMBL16174513;DTXSID401243055;1517-74-4

Chemical Property of 1-Methyl-4-[(R)-(1-methylethyl)sulfinyl]benzene

Chemical Property:

• Boiling Point: 96 °C(Press: 2 Torr)
• PSA: 36.28000
• Density: 1.09±0.1 g/cm3(Predicted)
• LogP: 3.37670
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 182.07653624
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Methyl-4-[(R)-(1-methylethyl)sulfinyl]benzene

There total 49 articles about 1-Methyl-4-[(R)-(1-methylethyl)sulfinyl]benzene 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-tolyl benzenethiosulfonate (17041-81-5) + 4-isopropyl-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester (1539-32-8) → 1-(isopropylsulfinyl)-4-methylbenzene (1517-74-4,37067-60-0,67529-35-5,50337-53-6)

Guidance literature:

With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; In 1,2-dichloro-ethane; at 30 ℃; for 24h; chemoselective reaction; Glovebox; Irradiation;

DOI:10.1021/acs.orglett.0c01776

Reference yield: 98.0%

isopropylmagnesium bromide (920-39-8) + (-)-menthyl p-toluenesulfinate (1517-82-4) → (+)-(R)-isopropyl p-tolyl sulfoxide (1517-74-4)

Guidance literature:

In toluene; at -60 - -20 ℃;

DOI:10.1021/jo00274a032

Reference yield: 98.0%

1,2:5,6-Di-O-isopropylidene-α-D-glucofuranosyl (-)-(S)-propanesulfinate (144712-62-9) + para-methylphenylmagnesium bromide (4294-57-9) → (+)-(R)-isopropyl p-tolyl sulfoxide (1517-74-4)

Guidance literature:

In toluene; at 0 ℃; for 1h;

DOI:10.1021/jo00051a022

upstream raw materials:

N-(toluene-4-sulfinyloxy)-phthalimide

isopropylmagnesium bromide

1-(isopropylthio)-4-methylbenzene

3-(isopropylsulfinyl)propionic acid tert-butyl ester

Downstream raw materials:

2-Brom-isopropyl-p-toluylsulfoxid

2-Chlor-2-isopropyl-p-tolylsulfoxid

5-phenyl-2-(p-tolylsulfinyl)-3-pentanone

(p-Toluolsulfinylmethyl)-p-toluylsulfon