Propanoic acid, 2-(4-chloro-3-pentadecylphenoxy)-2-methyl-

Base Information

• Chemical Name: Propanoic acid, 2-(4-chloro-3-pentadecylphenoxy)-2-methyl-
• CAS No.: 73028-66-7
• Molecular Formula: C₂₅H₄₁ClO₃
• Molecular Weight: 425.052
• DSSTox Substance ID: DTXSID10223304
• Wikidata: Q83101751
• Mol file: 73028-66-7.mol

Synonyms:BRN 4531349;Propanoic acid, 2-(4-chloro-3-pentadecylphenoxy)-2-methyl-;2-(4-Chloro-3-pentadecylphenoxy)-2-methylpropanoic acid;73028-66-7;C25H41ClO3;DTXSID10223304;LS-121276

Chemical Property of Propanoic acid, 2-(4-chloro-3-pentadecylphenoxy)-2-methyl-

Chemical Property:

• Vapor Pressure: 1.08E-11mmHg at 25°C
• Boiling Point: 521.3°Cat760mmHg
• Flash Point: 269.1°C
• Density: 1.019g/cm³
• XLogP3: 10.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 424.2744229
• Heavy Atom Count: 29
• Complexity: 424

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Propanoic acid, 2-(4-chloro-3-pentadecylphenoxy)-2-methyl-

There total 1 articles about Propanoic acid, 2-(4-chloro-3-pentadecylphenoxy)-2-methyl- 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: 58.0%

chloroform (67-66-3,8013-54-5) + 4-chloro-3-pentadecylphenol (6964-19-8) + acetone (67-64-1) → α-(3-pentadecyl-4-chlorophenoxy)isobutyric acid (73028-66-7)

Guidance literature:

With sodium hydroxide; Heating;

Reference yield: 70.0%

α-(3-pentadecyl-4-chlorophenoxy)isobutyric acid (73028-66-7) → α-(4-chloro-3-pentadecylphenoxy)isobutyric acid hydrazide (124237-29-2)

Guidance literature:

With hydrazine hydrate; In ethanol; Heating;

Reference yield:

α-(3-pentadecyl-4-chlorophenoxy)isobutyric acid (73028-66-7) → 1-(3'-pentadecyl-4'-chlorophenoxyisobutyramido)-2,5-dimethylpyrrole (124237-34-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / hydrazine hydrate / ethanol / Heating

2: 80 percent / acetic acid / ethanol / 4 h / Heating

With hydrazine hydrate; acetic acid; In ethanol;

upstream raw materials:

chloroform

4-chloro-3-pentadecylphenol

acetone

Downstream raw materials:

α-(4-chloro-3-pentadecylphenoxy)isobutyric acid hydrazide

2-amino-5-(4'-chloro-3'-pentadecylphenoxyisopropyl)-1,3,4-oxadiazole

1-(3'-pentadecyl-4'-chlorophenoxyisobutyramido)-2,5-dimethylpyrrole