1-(Methylsulfinyl)-4-methoxybenzene

Base Information

• Chemical Name: 1-(Methylsulfinyl)-4-methoxybenzene
• CAS No.: 3517-99-5
• Molecular Formula: C8H10O2S
• Molecular Weight: 170.232
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID50415887
• Nikkaji Number: J283.995D,J3.200.863A
• Mol file: 3517-99-5.mol

Synonyms:3517-99-5;1-METHANESULFINYL-4-METHOXYBENZENE;1-(Methylsulfinyl)-4-methoxybenzene;1-methoxy-4-methylsulfinylbenzene;1-methoxy-4-(methylsulfinyl)benzene;4-(Methylsulfinyl)anisole;SCHEMBL834255;p-methoxyphenyl methyl sulfoxide;DTXSID50415887;1-methanesulfinyl-4-methoxy-benzene;MFCD25976524;1-(Methanesulfinyl)-4-methoxybenzene;AKOS037645692;Methyl(4-methoxyphenyl)oxylatosulfonium;AS-62334;CS-0046999;W16290

Chemical Property of 1-(Methylsulfinyl)-4-methoxybenzene

Chemical Property:

• Melting Point: 43 °C
• Boiling Point: 153-154 °C(Press: 5 Torr)
• PSA: 45.51000
• Density: 1.22±0.1 g/cm3(Predicted)
• LogP: 2.29830
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 170.04015073
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

95% ^*data from raw suppliers

1-Methoxy-4-(methylsulfinyl)benzene ≥97.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)S(=O)C

Technology Process of 1-(Methylsulfinyl)-4-methoxybenzene

There total 63 articles about 1-(Methylsulfinyl)-4-methoxybenzene 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: 100.0%

1-methoxy-4-methylsulfanyl-benzene (1879-16-9) → 1-methoxy-4-(methylsulfinyl)benzene (3517-99-5)

Guidance literature:

With isoaalloxazine hydroperoxide; In tert-butyl alcohol; at 30 ℃; Rate constant;

DOI:10.1021/ja00284a047

Reference yield: 99.0%

1-methoxy-4-methylsulfanyl-benzene (1879-16-9) → p-anisyl methyl sulfone (3517-90-6) + 1-methoxy-4-(methylsulfinyl)benzene (3517-99-5)

Guidance literature:

With sodium hypochlorite pentahydrate; In water; acetonitrile; at 20 ℃; for 0.1h; Green chemistry;

DOI:10.1055/s-0035-1560482

Reference yield: 97.0%

1-methoxy-4-methylsulfanyl-benzene (1879-16-9) → (R)-4-methoxyphenyl methyl sulfoxide (3517-99-5,84321-34-6,93381-75-0,93381-76-1)

Guidance literature:

With dihydrogen peroxide; In water; at 25 ℃; for 0.916667h; enantioselective reaction;

DOI:10.1016/j.jcat.2015.12.012

upstream raw materials:

1-methoxy-4-methylsulfanyl-benzene

isoaalloxazine hydroperoxide

N-chloro-4-methylbenzenesulfonamide

p-TolSO₂NO

Downstream raw materials:

(R)-4-methoxyphenyl methyl sulfoxide

decyl methyl sulfoxide

p-anisyl methyl sulfone

(S)-p-methoxyphenyl methyl sulfoxide

Refernces

• 1、 Heydari-turkmani, Akram,Zakavi, Saeed. "The first solid state porphyrin-weak acid molecular complex: A novel metal free, nanosized and porous photocatalyst for large scale aerobic oxidations in water". . p. 394 - 405. Retrieved 2018.
• 2、 Davidson, Stuart C.,Gomes, Gabriel dos Passos,Kuhn, Leah R.,Alabugin, Igor V.,Kennedy, Alan R.,Tomkinson, Nicholas C.O.. "Organocatalytic sulfoxidation". . . Retrieved 2020/12/07.
• 3、 Zhang, Xiaobang,Wei, Xiaomei,Huang, Sheng-Li,Yang, Guo-Yu. "Selective Photocatalytic Oxidation of Sulfides in Lanthanide Metal -Organic Frameworks Incorporating Ru(2,2′-bpy)3 photosensitizer". supporting information. p. 2031 - 2034. Retrieved 2021/07/06.