2-[4-(Methanesulfonyl)phenyl]-2-oxoethyl phenylacetate

Base Information

• Chemical Name: 2-[4-(Methanesulfonyl)phenyl]-2-oxoethyl phenylacetate
• CAS No.: 201737-94-2
• Molecular Formula: C17H16O5S
• Molecular Weight: 332.377
• DSSTox Substance ID: DTXSID00573986
• Wikidata: Q82462846
• Mol file: 201737-94-2.mol

Synonyms:2-[4-(Methanesulfonyl)phenyl]-2-oxoethyl phenylacetate;201737-94-2;SCHEMBL6600765;DTXSID00573986

Chemical Property of 2-[4-(Methanesulfonyl)phenyl]-2-oxoethyl phenylacetate

Chemical Property:

• PSA: 85.89000
• LogP: 3.13950
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 332.07184478
• Heavy Atom Count: 23
• Complexity: 506

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(=O)COC(=O)CC2=CC=CC=C2

Technology Process of 2-[4-(Methanesulfonyl)phenyl]-2-oxoethyl phenylacetate

There total 4 articles about 2-[4-(Methanesulfonyl)phenyl]-2-oxoethyl phenylacetate 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:

sodium phenylacetate (114-70-5) + 2-bromo-1-(4-methanesulfonylphenyl)ethanone (50413-24-6) → 4-(methylsulfonyl)benzoylmethyl phenylacetate (201737-94-2)

Guidance literature:

With diisopropylamine; In DMF (N,N-dimethyl-formamide); at 40 ℃; for 4.5h;

Reference yield:

4-(Methylthio)acetophenone (1778-09-2) → 4-(methylsulfonyl)benzoylmethyl phenylacetate (201737-94-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: acetic acid; dihydrogen peroxide; sulfuric acid / 2 h / 0 - 70 °C

2.1: acetic acid; hydrogen bromide / 0.08 h / 20 °C

2.2: 2.5 h / 25 - 58 °C

3.1: N,N-dimethyl-formamide

With sulfuric acid; hydrogen bromide; dihydrogen peroxide; acetic acid; In N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2013.04.062

Reference yield:

4-(methanesulfonyl)acetophenone (10297-73-1) → 4-(methylsulfonyl)benzoylmethyl phenylacetate (201737-94-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic acid; hydrogen bromide / 0.08 h / 20 °C

1.2: 2.5 h / 25 - 58 °C

2.1: N,N-dimethyl-formamide

With hydrogen bromide; acetic acid; In N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2013.04.062

upstream raw materials:

sodium phenylacetate

2-bromo-1-(4-methanesulfonylphenyl)ethanone

4-(Methylthio)acetophenone

4-(methanesulfonyl)acetophenone

Downstream raw materials:

4-[4-(4-methanesulfonyl-phenyl)-2-oxo-2,5-dihydro-furan-3-yl]-benzenesulfonamide

4-(4-(methylsulfonyl)phenyl)-3-phenylfuran-2(5H)-one

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