(3-Methyl-3-nitrobutyl)sulfinylbenzene

Base Information

• Chemical Name: (3-Methyl-3-nitrobutyl)sulfinylbenzene
• CAS No.: 61174-01-4
• Molecular Formula: C11H15NO3S
• Molecular Weight: 241.311
• DSSTox Substance ID: DTXSID50491661
• Mol file: 61174-01-4.mol

Synonyms:(3-methyl-3-nitrobutyl)sulfinylbenzene;61174-01-4;DTXSID50491661;[(3-methyl-3-nitrobutyl)sulfinyl]benzene;(3-Methyl-3-nitrobutane-1-sulfinyl)benzene

Chemical Property of (3-Methyl-3-nitrobutyl)sulfinylbenzene

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 241.07726451
• Heavy Atom Count: 16
• Complexity: 267

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCS(=O)C1=CC=CC=C1)[N+](=O)[O-]

Technology Process of (3-Methyl-3-nitrobutyl)sulfinylbenzene

There total 1 articles about (3-Methyl-3-nitrobutyl)sulfinylbenzene 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: 98.0%

2-nitropropane (79-46-9) + Phenyl vinyl sulfoxide (20451-53-0) → 3-methyl-3-nitro-1-(phenylsulfinyl)-butane (61174-01-4)

Guidance literature:

With potassium carbonate; N-benzyl-N,N,N-triethylammonium chloride; at 20 ℃; for 1h;

Reference yield: 93.0%

3-methyl-3-nitro-1-(phenylsulfinyl)-butane (61174-01-4) → isopentyl phenyl sulfone (1918-88-3)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; for 2h; Heating;

DOI:10.1016/S0040-4039(00)87505-X

Reference yield:

3-methyl-3-nitro-1-(phenylsulfinyl)-butane (61174-01-4) → (3-Methyl-3-nitro-butylsulfanyl)-benzene

Guidance literature:

With dimethylsulfide; trifluoroacetic anhydride; In dichloromethane;

DOI:10.1246/cl.1977.395

upstream raw materials:

2-nitropropane

Phenyl vinyl sulfoxide

Downstream raw materials:

isopentyl phenyl sulfone