Ethyl 4-(4-isopropylphenyl)-4-oxobutyrate

Base Information

• Chemical Name: Ethyl 4-(4-isopropylphenyl)-4-oxobutyrate
• CAS No.: 26803-60-1
• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.322
• DSSTox Substance ID: DTXSID80565182
• Wikidata: Q82450141
• Mol file: 26803-60-1.mol

Synonyms:ETHYL 4-(4-ISOPROPYLPHENYL)-4-OXOBUTYRATE;26803-60-1;ethyl 4-oxo-4-(4-propan-2-ylphenyl)butanoate;MFCD02261384;Ethyl 4-oxo-4-[4-(propan-2-yl)phenyl]butanoate;SCHEMBL11827932;DTXSID80565182;AKOS010910666;ETHYL4-(4-ISOPROPYLPHENYL)-4-OXOBUTYRATE

Chemical Property of Ethyl 4-(4-isopropylphenyl)-4-oxobutyrate

Chemical Property:

• Vapor Pressure: 2.18E-05mmHg at 25°C
• Boiling Point: 360.7°C at 760 mmHg
• Flash Point: 156.9°C
• PSA: 43.37000
• Density: 1.032g/cm³
• LogP: 3.33600
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 248.14124450
• Heavy Atom Count: 18
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

Ethyl4-(4-isopropylphenyl)-4-oxobutyrate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 4-(4-isopropylphenyl)-4-oxobutyrate

There total 2 articles about Ethyl 4-(4-isopropylphenyl)-4-oxobutyrate 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:

Isopropylbenzene (98-82-8) → Aethyl-β-(p-cumoyl)-propionat (26803-60-1)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / nitrobenzene

2: H₂SO₄ / benzene / Heating

With aluminium trichloride; sulfuric acid; In nitrobenzene; benzene;

DOI:10.1016/S0040-4020(01)97856-1

Reference yield:

ethanol (64-17-5) + 4-(4-isopropylphenyl)-4-oxobutanoic acid (6947-81-5) → Aethyl-β-(p-cumoyl)-propionat (26803-60-1)

Guidance literature:

With sulfuric acid; In benzene; Heating;

DOI:10.1016/S0040-4020(01)97856-1

Reference yield: 66.5%

Aethyl-β-(p-cumoyl)-propionat (26803-60-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → (Z)-4-Chloro-3-formyl-4-(4-isopropyl-phenyl)-but-3-enoic acid ethyl ester (136343-89-0)

Guidance literature:

With trichlorophosphate; at 50 - 75 ℃; for 10h;

upstream raw materials:

ethanol

4-(4-isopropylphenyl)-4-oxobutanoic acid

Isopropylbenzene

Downstream raw materials:

(Z)-4-Chloro-3-formyl-4-(4-isopropyl-phenyl)-but-3-enoic acid ethyl ester

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