1-(1-Methylcyclobutyl)-3-(phenylsulfonyl)-2-propanone

Base Information

• Chemical Name: 1-(1-Methylcyclobutyl)-3-(phenylsulfonyl)-2-propanone
• CAS No.: 363593-71-9
• Molecular Formula: C₁₄H₁₈O₃S
• Molecular Weight: 266.361
• DSSTox Substance ID: DTXSID101215792
• Nikkaji Number: J1.575.180K
• Mol file: 363593-71-9.mol

Synonyms:1-(1-Methylcyclobutyl)-3-(phenylsulfonyl)-2-propanone;DTXSID101215792;363593-71-9

Chemical Property of 1-(1-Methylcyclobutyl)-3-(phenylsulfonyl)-2-propanone

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 266.09766561
• Heavy Atom Count: 18
• Complexity: 395

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CCC1)CC(=O)CS(=O)(=O)C2=CC=CC=C2

Technology Process of 1-(1-Methylcyclobutyl)-3-(phenylsulfonyl)-2-propanone

There total 5 articles about 1-(1-Methylcyclobutyl)-3-(phenylsulfonyl)-2-propanone 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: 79.9%

trimethylaluminum (75-24-1) + 1-cyclobutylidene-3-(phenylsulfonyl)acetone (363593-74-2) → 1-(1-methylcyclobutyl)-3-(phenylsulfonyl)acetone (363593-71-9)

Guidance literature:

With copper(I) bromide; In tetrahydrofuran; toluene; at 0 ℃;

Reference yield:

1-phenylsulfonyl-3-(1-phenylsulfonylcyclobutyl)acetone (363593-73-1) → 1-(1-methylcyclobutyl)-3-(phenylsulfonyl)acetone (363593-71-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 97.1 percent / NaOH / methanol; CH₂Cl₂ / 6 h / 20 °C

2: 79.9 percent / CuBr / toluene; tetrahydrofuran / 0 °C

With sodium hydroxide; copper(I) bromide; In tetrahydrofuran; methanol; dichloromethane; toluene;

Reference yield:

C19H22O5S2 → 1-(1-methylcyclobutyl)-3-(phenylsulfonyl)acetone (363593-71-9)

Guidance literature:

Multi-step reaction with 3 steps

1: Jones reagent / 20 °C

2: sodium hydroxide / methanol / 20 °C

3: copper(I) bromide / tetrahydrofuran / 0 °C

With Jones reagent; copper(I) bromide; sodium hydroxide; In tetrahydrofuran; methanol;

DOI:10.1007/s10870-013-0411-4

upstream raw materials:

trimethylaluminum

1-cyclobutylidene-3-(phenylsulfonyl)acetone

1-phenylsulfonyl-3-(1-phenylsulfonylcyclobutyl)acetone

2-(phenylsulfanylmethyl)oxirane

Downstream raw materials:

1-benzenesulfonyl-1-diazo-3-(1-methyl-cyclobutyl)-propan-2-one