2,4,5-Trichlorophenyl [4-(hydroxymethyl)phenoxy]acetate

Base Information

• Chemical Name: 2,4,5-Trichlorophenyl [4-(hydroxymethyl)phenoxy]acetate
• CAS No.: 68858-22-0
• Molecular Formula: C₁₅H₁₁Cl₃O₄
• Molecular Weight: 361.609
• DSSTox Substance ID: DTXSID30551696
• Wikidata: Q82431496
• Mol file: 68858-22-0.mol

Synonyms:68858-22-0;SCHEMBL9654642;2,4,5-Trichlorophenyl [4-(hydroxymethyl)phenoxy]acetate;DTXSID30551696

Chemical Property of 2,4,5-Trichlorophenyl [4-(hydroxymethyl)phenoxy]acetate

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 359.972292
• Heavy Atom Count: 22
• Complexity: 361

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CO)OCC(=O)OC2=CC(=C(C=C2Cl)Cl)Cl

Technology Process of 2,4,5-Trichlorophenyl [4-(hydroxymethyl)phenoxy]acetate

There total 4 articles about 2,4,5-Trichlorophenyl [4-(hydroxymethyl)phenoxy]acetate 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: 49.0%

[4-(hydroxymethyl)phenoxy]acetic acid (68858-21-9) + 2,4,5-trichlorophenol (95-95-4) → p-hydroxymethylphenoxyacetic acid 2,4,5-trichlorophenyl ester (68858-22-0)

Guidance literature:

With dicyclohexyl-carbodiimide; In ethyl acetate; Ambient temperature;

DOI:10.1039/P19810000538

Reference yield:

4-chloromethylphenoxyacetic acid (77284-29-8) → p-hydroxymethylphenoxyacetic acid 2,4,5-trichlorophenyl ester (68858-22-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 53 percent / sodium hydrogen carbonate / H₂O

2: 49 percent / dicyclohexylcarbodi-imide / ethyl acetate / Ambient temperature

With sodium hydrogencarbonate; dicyclohexyl-carbodiimide; In water; ethyl acetate;

DOI:10.1039/P19810000538

Reference yield:

2-phenoxyacetic acid (122-59-8) → p-hydroxymethylphenoxyacetic acid 2,4,5-trichlorophenyl ester (68858-22-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 34 percent / gas. hydrogen chloride / H₂O / 0.67 h / -5 °C

2: 53 percent / sodium hydrogen carbonate / H₂O

3: 49 percent / dicyclohexylcarbodi-imide / ethyl acetate / Ambient temperature

With hydrogenchloride; sodium hydrogencarbonate; dicyclohexyl-carbodiimide; In water; ethyl acetate;

DOI:10.1039/P19810000538

upstream raw materials:

[4-(hydroxymethyl)phenoxy]acetic acid

2,4,5-trichlorophenol

4-chloromethylphenoxyacetic acid

2-phenoxyacetic acid