Propanoic acid, 2-methyl-2-(3-pentadecylphenoxy)-

Base Information

Chemical Name:Propanoic acid, 2-methyl-2-(3-pentadecylphenoxy)-
CAS No.:111396-81-7
Molecular Formula:C25H42 O3
Molecular Weight:390.5992
Hs Code.:
DSSTox Substance ID:DTXSID00149640
Wikidata:Q83015492
ChEMBL ID:CHEMBL5187974

Synonyms:alpha-(3-Pentadecylphenoxy)isobutyric acid;BRN 4511318;Propanoic acid, 2-methyl-2-(3-pentadecylphenoxy)-;2-methyl-2-(3-pentadecylphenoxy)propanoic acid;111396-81-7;LDT409;CHEMBL5187974;SCHEMBL10625909;DTXSID00149640;LDT-409;GLXC-25287;LS-121543

Suppliers and Price of Propanoic acid, 2-methyl-2-(3-pentadecylphenoxy)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of Propanoic acid, 2-methyl-2-(3-pentadecylphenoxy)-

Chemical Property:

Vapor Pressure:7.62E-11mmHg at 25°C
Boiling Point:500.7°C at 760 mmHg
Flash Point:156.5°C
Density:0.964g/cm³
XLogP3:9.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:17
Exact Mass:390.31339520
Heavy Atom Count:28
Complexity:391

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(C)(C)C(=O)O

Technology Process of Propanoic acid, 2-methyl-2-(3-pentadecylphenoxy)-

There total 2 articles about Propanoic acid, 2-methyl-2-(3-pentadecylphenoxy)- 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: 68.0%

: 67-66-3,8013-54-5
chloroform

: 501-24-6
3-n-Pentadecylphenol

: 67-64-1
acetone

: 111396-81-7
α-(3-pentadecylphenoxy)isobutyric acid

Guidance literature:: With sodium hydroxide; for 6h; Heating;

Reference yield:

: 501-26-8
3-[(Z)-8-pentadecenyl]phenol

: 111396-81-7
α-(3-pentadecylphenoxy)isobutyric acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: palladium 10% on activated carbon; hydrogen / ethanol / 4 h / 20 °C / 3102.97 Torr

2.1: potassium carbonate; potassium iodide / acetonitrile / 0.33 h

2.2: 24 h / 82 °C

3.1: lithium hydroxide; Aliquat 336 / tetrahydrofuran; water / 4 h / 65 °C

With palladium 10% on activated carbon; hydrogen; Aliquat 336; potassium carbonate; potassium iodide; lithium hydroxide; In tetrahydrofuran; ethanol; water; acetonitrile;
DOI:10.1021/acs.jmedchem.1c01542