Propanoic acid, 2-(4-(4-chlorobenzoyl)-3-methylphenoxy)-2-methyl-, isopropyl ester

Base Information

• Chemical Name: Propanoic acid, 2-(4-(4-chlorobenzoyl)-3-methylphenoxy)-2-methyl-, isopropyl ester
• CAS No.: 42019-35-2
• Molecular Formula: C21H23 Cl O4
• Molecular Weight: 374.8579
• DSSTox Substance ID: DTXSID50194842
• Nikkaji Number: J69.142I
• Wikidata: Q83067674
• Mol file: 42019-35-2.mol

Synonyms:42019-35-2;BRN 2063689;Propanoic acid, 2-(4-(4-chlorobenzoyl)-3-methylphenoxy)-2-methyl-, isopropyl ester;2-(4-(4-Chlorobenzoyl)-3-methylphenoxy)-2-methylpropanoic acid isopropyl ester;2-[4-(4-Chlorobenzoyl)-3-methylphenoxy]-2-methylpropanoic acid isopropyl ester;C21H23ClO4;C21-H23-Cl-O4;DTXSID50194842;LS-121249

Chemical Property of Propanoic acid, 2-(4-(4-chlorobenzoyl)-3-methylphenoxy)-2-methyl-, isopropyl ester

Chemical Property:

• Vapor Pressure: 6.35E-09mmHg at 25°C
• Boiling Point: 467.7°Cat760mmHg
• Flash Point: 158.4°C
• PSA: 52.60000
• Density: 1.161g/cm³
• LogP: 4.98840
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 374.1284869
• Heavy Atom Count: 26
• Complexity: 494

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)OC(C)(C)C(=O)OC(C)C)C(=O)C2=CC=C(C=C2)Cl

Technology Process of Propanoic acid, 2-(4-(4-chlorobenzoyl)-3-methylphenoxy)-2-methyl-, isopropyl ester

There total 2 articles about Propanoic acid, 2-(4-(4-chlorobenzoyl)-3-methylphenoxy)-2-methyl-, isopropyl 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:

Trimethylboroxine (823-96-1) + fenofibrate (49562-28-9) → 2-[4-(4-Chloro-benzoyl)-3-methyl-phenoxy]-2-methyl-propionic acid isopropyl ester (42019-35-2) + C21H23ClO4

Guidance literature:

With pentamethylcyclopentadienyl(benzene)cobalt(III) hexafluorophosphate; potassium carbonate; silver carbonate; In 2-methyltetrahydrofuran; at 60 ℃; for 16h; Overall yield = 46 percent; Inert atmosphere; Sealed tube;

DOI:10.1038/s41557-020-0475-7

Reference yield:

→ 2-[4-(4-Chloro-benzoyl)-3-methyl-phenoxy]-2-methyl-propionic acid isopropyl ester (42019-35-2)

Guidance literature:

4'-Chlor-4-hydroxy-2-methyl-benzophenon, X-C(CH3)2-COOCH(CH3)2;

upstream raw materials:

Trimethylboroxine

fenofibrate

Refernces