Butyl (4-chlorophenoxy)acetate

Base Information

• Chemical Name: Butyl (4-chlorophenoxy)acetate
• CAS No.: 52716-17-3
• Molecular Formula: C12H15 Cl O3
• Molecular Weight: 242.702
• European Community (EC) Number: 258-125-3
• UNII: W4GQ4U7DMA
• DSSTox Substance ID: DTXSID80200687
• Nikkaji Number: J295.772H
• Wikidata: Q83073837
• Mol file: 52716-17-3.mol

Synonyms:Butyl (4-chlorophenoxy)acetate;52716-17-3;EINECS 258-125-3;Acetic acid, (4-chlorophenoxy)-, butyl ester;butyl 2-(4-chlorophenoxy)acetate;butyl(4-chlorophenoxy)acetate;W4GQ4U7DMA;Butyl 4-chlorophenoxyacetate;SCHEMBL21384542;n-Butyl (p-chlorophenoxy)acetate;DTXSID80200687;AKOS008951760;(4-Chlorophenoxy)acetic acid butyl ester;(p-chlorophenoxy) acetic acid n-butyl ester;Acetic acid, (p-chlorophenoxy)-, butyl ester;Acetic acid, 2-(4-chlorophenoxy)-, butyl ester

Chemical Property of Butyl (4-chlorophenoxy)acetate

Chemical Property:

• Vapor Pressure: 0.000419mmHg at 25°C
• Boiling Point: 316.1°C at 760 mmHg
• Flash Point: 121.7°C
• PSA: 35.53000
• Density: 1.148g/cm³
• LogP: 3.06210
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 242.0709720
• Heavy Atom Count: 16
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

BUTYL-(4-CHLOROPHENOXY)ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)COC1=CC=C(C=C1)Cl

Technology Process of Butyl (4-chlorophenoxy)acetate

There total 4 articles about Butyl (4-chlorophenoxy)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: 99.07%

butyl 2-phenoxyacetate (32001-59-5) → n-butyl 4-chlorophenoxyacetate (52716-17-3)

Guidance literature:

With 3,4,5-tri(tert-butyl)isothiazole; chlorine; zinc(II) chloride; at 20 ℃; for 0.5h;

Reference yield: 98.64%

propyl 4-chlorophenoxyacetate (61961-03-3) + butan-1-ol (71-36-3) → n-butyl 4-chlorophenoxyacetate (52716-17-3)

Guidance literature:

With macroporous styrenic strong acid cation exchange resin SQD-65; at 80 ℃;

Reference yield:

n-propyl phenoxyacetate (6212-47-1) → n-butyl 4-chlorophenoxyacetate (52716-17-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 2-ethylthiazole; sulfuryl dichloride; chlorine / 0.5 h / 30 °C

2: macroporous styrene strong acid cation exchange resin SQD-65 / 80 °C

With 2-ethylthiazole; sulfuryl dichloride; chlorine;

upstream raw materials:

butyl 2-phenoxyacetate

n-propyl phenoxyacetate

propyl 4-chlorophenoxyacetate

butan-1-ol

Refernces

• 1、 -. "Preparation method of chlorophenoxycarboxylic ester". Paragraph 0049; 0050. . Retrieved 2019/01/06.
• 2、 -. "A [...] ester preparation method (by machine translation)". Paragraph 0044; 0045. . Retrieved 2019/01/08.