4-Propanoylphenyl 2,2-dimethylpropanoate

Base Information

• Chemical Name: 4-Propanoylphenyl 2,2-dimethylpropanoate
• CAS No.: 120703-45-9
• Molecular Formula: C₁₄H₁₈O₃
• Molecular Weight: 234.295
• Hs Code.: 2918300090
• European Community (EC) Number: 696-623-6
• DSSTox Substance ID: DTXSID70598186
• Nikkaji Number: J2.439.560J
• Wikidata: Q82493912
• Mol file: 120703-45-9.mol

Synonyms:4-propanoylphenyl 2,2-dimethylpropanoate;120703-45-9;(4-propanoylphenyl) 2,2-dimethylpropanoate;MFCD01530702;4-Propionylphenyl Pivalate;DTXSID70598186;AMY39793;VEA70345;AKOS002956734;SS-4410;4-propanoylphenyl2,2-dimethylpropanoate;SY333579;CS-0152654;L10024;A892114

Chemical Property of 4-Propanoylphenyl 2,2-dimethylpropanoate

Chemical Property:

• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 234.125594432
• Heavy Atom Count: 17
• Complexity: 280

Purity/Quality:

97% ^*data from raw suppliers

4-Propanoylphenyl-2,2-dimethylpropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-Propanoylphenyl 2,2-dimethylpropanoate

There total 1 articles about 4-Propanoylphenyl 2,2-dimethylpropanoate 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: 100.0%

pivaloyl chloride (3282-30-2) + 4-hydroxypropiophenone (70-70-2) → p-(trimethylacetoxy)propiophenone (120703-45-9)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 2h;

DOI:10.1016/j.jorganchem.2006.11.016

Reference yield: 100.0%

p-(trimethylacetoxy)propiophenone (120703-45-9) → 2,2-dimethyl-propanoic acid 4-(1-oxo-2-bromo-propyl)phenyl ester (328933-47-7)

Guidance literature:

p-(trimethylacetoxy)propiophenone; With bromine; In diethyl ether; at 0 - 20 ℃; for 1.08333h;

With sodium sulfite; In diethyl ether; water;

Reference yield: 93.0%

p-(trimethylacetoxy)propiophenone (120703-45-9) + trimethyl orthoformate (149-73-5) → 2,2-Dimethyl-propionic acid 4-(1-methoxycarbonyl-ethyl)-phenyl ester (120703-46-0)

Guidance literature:

With lithium perchlorate; methyl iodide; Ambient temperature; anodic oxidation at constant current;

DOI:10.1016/S0040-4039(00)95205-5

upstream raw materials:

pivaloyl chloride

4-hydroxypropiophenone

Downstream raw materials:

2,2-Dimethyl-propionic acid 4-(1-methoxycarbonyl-ethyl)-phenyl ester

1-(4-hydroxyphenyl)-1,2-bis(4-trimethylacetoxyphenyl)but-1-ene

2,2-dimethyl-propanoic acid 4-(1-oxo-2-bromo-propyl)phenyl ester

1-(4-hydroxyphenyl)-2-(4-(trimethylacetoxy)phenyl)-1-phenylbut-1-ene

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