Ethyl 2-[4-(cyclopropanecarbonyl)phenyl]-2-methylpropanoate

Base Information

• Chemical Name: Ethyl 2-[4-(cyclopropanecarbonyl)phenyl]-2-methylpropanoate
• CAS No.: 169280-10-8
• Molecular Formula: C₁₆H₂₀O₃
• Molecular Weight: 260.333
• European Community (EC) Number: 605-546-9
• DSSTox Substance ID: DTXSID301036095

Synonyms:SCHEMBL18765453;PLUQJOSTYJDNDS-UHFFFAOYSA-N;DTXSID301036095;ethyl 2-[4-(cyclopropanecarbonyl)phenyl]-2-methylpropanoate;2-(4-Cyclopropanecarbonyl-phenyl)-2-methyl propionic Acid, Ethyl Ester;2-(4-Cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid, ethyl ester;2-(4-Cyclopropanecarbonyl-phenyl)-2-methylpropionic Acid, Ethyl Ester;169280-10-8

Chemical Property of Ethyl 2-[4-(cyclopropanecarbonyl)phenyl]-2-methylpropanoate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 260.14124450
• Heavy Atom Count: 19
• Complexity: 347

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(C)(C)C1=CC=C(C=C1)C(=O)C2CC2

Technology Process of Ethyl 2-[4-(cyclopropanecarbonyl)phenyl]-2-methylpropanoate

There total 8 articles about Ethyl 2-[4-(cyclopropanecarbonyl)phenyl]-2-methylpropanoate 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: 93.0%

para-(4-chloro-1-oxobutyl)benzene acetic acid ethyl ester (169280-07-3) + methylene chloride (74-87-3) → [4-(cyclopropylcarbonyl)]-α-α-dimethylbenzeneacetic acid ethyl ester (169280-10-8)

Guidance literature:

With sodium hydride; In diethylene glycol dimethyl ether; for 0.166667h;

Reference yield: 93.0%

→ [4-(cyclopropylcarbonyl)]-α-α-dimethylbenzeneacetic acid ethyl ester (169280-10-8)

Guidance literature:

Reference yield:

2-[3-(4-Chloro-butyryl)-phenyl]-2-methyl-propionic acid, ethyl ester (162096-53-9) + 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetic acid ethyl ester (76811-97-7) → [4-(cyclopropylcarbonyl)]-α-α-dimethylbenzeneacetic acid ethyl ester (169280-10-8)

Guidance literature:

With potassium hydroxide; In ethanol;

upstream raw materials:

2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionamide

ethanol

para-(4-chloro-1-oxobutyl)benzene acetic acid ethyl ester

methylene chloride

Downstream raw materials:

4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetic acid ethyl ester

4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-α,α-dimethylbenzeneacetic acid ethyl ester

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