2,4-D pentyl ester

Base Information

• Chemical Name: 2,4-D pentyl ester
• CAS No.: 1917-92-6
• Molecular Formula: C13H16Cl2O3
• Molecular Weight: 291.174
• Hs Code.: 2918990090
• European Community (EC) Number: 217-631-4
• NSC Number: 409405
• UNII: 05QTI4MUPF
• DSSTox Substance ID: DTXSID0041351
• Nikkaji Number: J54.204K
• Wikidata: Q27236135
• Mol file: 1917-92-6.mol

Synonyms:2,4-D-pentyl;2,4-D pentyl ester;1917-92-6;Pentyl (2,4-dichlorophenoxy)acetate;2,4-D amyl ester;2,4-D-pentyl [ISO];Caswell No. 315AG;Amyl 2,4-dichlorophenoxyacetate;Pentyl 2,4-dichlorophenoxyacetate;pentyl 2-(2,4-dichlorophenoxy)acetate;Amyl(pentyl) 2,4-dichlorophenoxyacetate;2,4-Dichlorophenoxyacetic acid amyl ester;EINECS 217-631-4;UNII-05QTI4MUPF;05QTI4MUPF;EPA Pesticide Chemical Code 030051;NSC 409405;BRN 2334779;AI3-14624;ACETIC ACID, (2,4-DICHLOROPHENOXY)-, PENTYL ESTER;pentyl 2,4-dichloro-phenoxyacetate;Acetic acid, (2,4-dichlorophenoxy)-, amyl ester;2,4-Dichlorophenoxyacetic acid, amyl(pentyl) ester;NSC-409405;2, amyl ester;2,4-D pentyl;2, amyl(pentyl) ester;DTXSID0041351;SCHEMBL21381317;Pentyl(2,4-dichlorophenoxy)acetate;NSC409405;Acetic acid,4-dichlorophenoxy)-, pentyl ester;Q27236135;ACETIC ACID, 2-(2,4-DICHLOROPHENOXY)-, PENTYL ESTER

Chemical Property of 2,4-D pentyl ester

Chemical Property:

• Vapor Pressure: 2.49E-05mmHg at 25°C
• Boiling Point: 358.8°Cat760mmHg
• Flash Point: 134.3°C
• PSA: 35.53000
• Density: 1.213g/cm³
• LogP: 4.10560
• Water Solubility.: 8.436mg/L(temperature not stated)
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 290.0476498
• Heavy Atom Count: 18
• Complexity: 248

Purity/Quality:

98%,99%, ^*data from raw suppliers

PENTYL-(2,4-DICHLOROPHENOXY)ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-D pentyl ester

There total 6 articles about 2,4-D pentyl ester 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:

n-pentyl phenoxyacetate (74525-52-3) → n-pentyl 2,4-dichlorophenoxyacetate (1917-92-6)

Guidance literature:

With 2-ethylthiazole; chlorine; titanium(IV) oxide; at 50 ℃; for 0.5h;

Reference yield:

magnesium 2,4-dichlorophenolate + pentyl 2-bromoacetate (52034-03-4) → n-pentyl 2,4-dichlorophenoxyacetate (1917-92-6)

Guidance literature:

at 160 ℃; for 3h;

Reference yield:

n-pentyl 2-chloroacetate (5411-55-2) + phenol (108-95-2,27073-41-2) → n-pentyl 2,4-dichlorophenoxyacetate (1917-92-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydrogencarbonate / toluene / 0.5 h / 90 °C

2: chlorine; titanium(IV) oxide; 2-ethylthiazole / 0.5 h / 50 °C

With 2-ethylthiazole; chlorine; titanium(IV) oxide; potassium hydrogencarbonate; In toluene;

upstream raw materials:

pentyl 2-bromoacetate

pentan-1-ol

n-pentyl 2-chloroacetate

phenol

Downstream raw materials:

2,4-Dichlorophenoxyacetic acid

2,4-dichlorophenoxyacetic acid dimethylamine

Refernces

• 1、 -. "Preparation method for 2,4-dichlorophenoxyacetic acid". Paragraph 0062; 0063. . Retrieved 2018/09/08.
• 2、 -. "Preparation method of phenoxycarboxylic acid choline salt". . . Retrieved 2019/01/08.