2-(Cyclopropylmethoxy)-acetic Acid 1,1-Dimethyl-2-[4-(methylsulfonyl)phenyl]-2-oxoethyl Ester

Base Information

• Chemical Name: 2-(Cyclopropylmethoxy)-acetic Acid 1,1-Dimethyl-2-[4-(methylsulfonyl)phenyl]-2-oxoethyl Ester
• CAS No.: 246869-15-8
• Molecular Formula: C17H22O6S
• Molecular Weight: 354.424
• DSSTox Substance ID: DTXSID00459993
• Mol file: 246869-15-8.mol

Synonyms:246869-15-8;2-(Cyclopropylmethoxy)-acetic Acid 1,1-Dimethyl-2-[4-(methylsulfonyl)phenyl]-2-oxoethyl Ester;[2-methyl-1-(4-methylsulfonylphenyl)-1-oxopropan-2-yl] 2-(cyclopropylmethoxy)acetate;SCHEMBL7223803;DTXSID00459993;CJEDNIAVNFONLO-UHFFFAOYSA-N;FT-0665395;2-Methyl-1-[4-(methylsulfonyl)phenyl]-1-oxo-2-propanyl (cyclopropylmethoxy)acetate

Chemical Property of 2-(Cyclopropylmethoxy)-acetic Acid 1,1-Dimethyl-2-[4-(methylsulfonyl)phenyl]-2-oxoethyl Ester

Chemical Property:

• Boiling Point: 535.6±48.0 °C(Predicted)
• PSA: 95.12000
• Density: 1.246±0.06 g/cm3(Predicted)
• LogP: 3.10200
• Solubility.: Acetone, Chloroform, Dichloromethane
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 354.11370959
• Heavy Atom Count: 24
• Complexity: 562

Purity/Quality:

99% ^*data from raw suppliers

2-(Cyclopropylmethoxy)-aceticAcid1,1-Dimethyl-2-[4-(methylsulfonyl)phenyl]-2-oxoethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C(=O)C1=CC=C(C=C1)S(=O)(=O)C)OC(=O)COCC2CC2

Technology Process of 2-(Cyclopropylmethoxy)-acetic Acid 1,1-Dimethyl-2-[4-(methylsulfonyl)phenyl]-2-oxoethyl Ester

There total 7 articles about 2-(Cyclopropylmethoxy)-acetic Acid 1,1-Dimethyl-2-[4-(methylsulfonyl)phenyl]-2-oxoethyl Ester 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: 83.0%

2-(cyclopropylmethoxy)acetic acid (246869-08-9) + 2-bromo-2-methyl-1-[4-(methylsulfonyl)phenyl]propan-1-one (189955-79-1) → 2-cyclopropylmethoxyacetic acid [1,1-dimethyl-2-(4-methanesulfonylphenyl)-2-oxoethyl]ester (246869-15-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In ethanol; at -10 - 20 ℃;

Reference yield:

2-(cyclopropylmethoxy)acetic acid (246869-08-9) + 2-hydroxy-2-methyl-1-(4-(methylsulfonyl)-phenyl)propan-1-one (180048-73-1) → 2-cyclopropylmethoxyacetic acid [1,1-dimethyl-2-(4-methanesulfonylphenyl)-2-oxoethyl]ester (246869-15-8)

Guidance literature:

With dmap; In dichloromethane;

DOI:10.1016/S0960-894X(99)00365-0

Reference yield:

2-methyl-1-(4-(methylthio)phenyl)-propan-1-one (53207-58-2) → 2-cyclopropylmethoxyacetic acid [1,1-dimethyl-2-(4-methanesulfonylphenyl)-2-oxoethyl]ester (246869-15-8)

Guidance literature:

Multi-step reaction with 3 steps

1: NaOH, Aliquot 336 / toluene; CCl₄

2: Oxone

3: CMC, DMAP / CH₂Cl₂

With dmap; Oxone; sodium hydroxide; Aliquat 336; In tetrachloromethane; dichloromethane; toluene;

DOI:10.1016/S0960-894X(99)00365-0

upstream raw materials:

2-(cyclopropylmethoxy)acetic acid

2-hydroxy-2-methyl-1-(4-(methylsulfonyl)-phenyl)propan-1-one

methyl-phenyl-thioether

2-methyl-1-(4-(methylthio)phenyl)-propan-1-one

Downstream raw materials:

3-(Cyclopropylmethoxy)-5.5-dimethyl-4-(4-(methylsulfonyl)phenyl)-5H-furan-2-one

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