Isobutyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate

Base Information

• Chemical Name: Isobutyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate
• CAS No.: 149105-26-0
• Molecular Formula: C19H30 O3
• Molecular Weight: 306.445
• Hs Code.: 2918990090
• European Community (EC) Number: 642-224-7
• DSSTox Substance ID: DTXSID20576919
• Wikidata: Q72485035
• Mol file: 149105-26-0.mol

Synonyms:149105-26-0;Isobutyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;Isobutyl 2,2-Dimethyl-5-(2,5-Xylyloxy)Valerate;2-methylpropyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;Gemfibrozil Isobutyl Ester;DTXSID20576919;AKOS015890678;AC-19610;G68028;2,2-Dimethyl-5-(2,5-xylyloxy) valeric isobutyl ester;ISOBUTYL-2,2-DIMETHYL-5-(2,5-XYLYLOXY)VALERATE;Isobutyl5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-, 2-methylpropyl ester;Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-, 2-methylpropyl ester (9CI)

Chemical Property of Isobutyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate

Chemical Property:

• Appearance/Colour: Light yellow to brown yellow liquid
• Vapor Pressure: 2.73E-06mmHg at 25°C
• Refractive Index: 1.487
• Boiling Point: 390 °C at 760 mmHg
• Flash Point: 164.4 °C
• PSA: 35.53000
• Density: 0.972 g/cm³
• LogP: 4.68780
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 306.21949481
• Heavy Atom Count: 22
• Complexity: 336

Purity/Quality:

99% ^*data from raw suppliers

Isobutyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)OCC(C)C

Technology Process of Isobutyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate

There total 1 articles about Isobutyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate 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: 80.0%

2,5-Dimethylphenol (95-87-4) + 5-chloro-2,2-dimethylpentanoic acid isobutyl ester (109232-37-3) → isobutyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate (149105-26-0)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In water; at 25 - 132 ℃; for 5h; under 1500.15 Torr; Solvent; Temperature; Time; Autoclave;

DOI:10.1021/op400034f

Reference yield:

isobutyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate (149105-26-0) → gemfibrozil (25812-30-0) + C30H42O6 (1446438-83-0) + C22H34O5 (1446438-84-1)

Guidance literature:

isobutyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate; With sodium hydroxide; In toluene; at 100 - 112 ℃; for 7h;

With water; at 70 - 80 ℃;

DOI:10.1021/op400034f

upstream raw materials:

2,5-Dimethylphenol

5-chloro-2,2-dimethylpentanoic acid isobutyl ester

Downstream raw materials:

gemfibrozil

C₃₀H₄₂O₆

C₂₂H₃₄O₅

Refernces