Isobutyl 2,4-dichlorophenoxyacetate

Base Information

• Chemical Name: Isobutyl 2,4-dichlorophenoxyacetate
• CAS No.: 1713-15-1
• Molecular Formula: C12H14O3Cl2
• Molecular Weight: 277.147
• Hs Code.: 2918990090
• European Community (EC) Number: 216-992-5
• NSC Number: 409768
• UNII: R10W5VXM7E
• DSSTox Substance ID: DTXSID6041347
• Nikkaji Number: J7.760G
• Wikidata: Q27287635
• ChEMBL ID: CHEMBL3186449
• Mol file: 1713-15-1.mol

Synonyms:Isobutyl 2,4-dichlorophenoxyacetate;1713-15-1;2,4-D-isobutyl;2,4-D isobutyl ester;Isobutyl 2,4-D;2,4-D Iso butyl ester;2,4-D-isobutyl [ISO];Acetic acid, (2,4-dichlorophenoxy)-, 2-methylpropyl ester;Caswell No. 315AR;2-methylpropyl 2-(2,4-dichlorophenoxy)acetate;2,4-D, ISOBUTYL ESTER;2,4-Dichlorophenoxyacetic acid isobutyl ester;Acetic acid, (2,4-dichlorophenoxy)-, isobutyl ester;2,4-D-isobutyl ester;EINECS 216-992-5;UNII-R10W5VXM7E;EPA Pesticide Chemical Code 030062;NSC 409768;BRN 2131598;R10W5VXM7E;Isobutyl 2-(2,4-dichlorophenoxy)acetate;AI3-16674;DTXSID6041347;(2,4-Dichlorophenoxy)acetic acid isobutyl ester;NSC-409768;2, isobutyl ester;SCHEMBL910052;CHEMBL3186449;DTXCID4021347;Tox21_302403;NSC409768;NCGC00255596-01;CAS-1713-15-1;FT-0609996;Acetic acid,4-dichlorophenoxy)-, isobutyl ester;2,4-D-isobutyl ester 100 microg/mL in Cyclohexane;W-109701;Acetic acid,4-dichlorophenoxy)-, 2-methylpropyl ester;Q27287635;2,4-D Isobutyl Ester ((2,4-Dichlorophenoxy)acetic Acid Isobutyl Ester);ACETIC ACID, 2-(2,4-DICHLOROPHENOXY)-, 2-METHYLPROPYL ESTER

Chemical Property of Isobutyl 2,4-dichlorophenoxyacetate

Chemical Property:

• Vapor Pressure: 0.0001mmHg at 25°C
• Melting Point: 7oC
• Refractive Index: 1.516
• Boiling Point: 338.2oC at 760mmHg
• Flash Point: 128.9oC
• PSA: 35.53000
• Density: 1.238g/cm³
• LogP: 3.57140
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 276.0319997
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

ISOBUTYL-2,4-DICHLOROPHENOXYACETATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Isobutyl 2,4-dichlorophenoxyacetate

There total 6 articles about Isobutyl 2,4-dichlorophenoxyacetate 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: 98.12%

2-methyl-propan-1-ol (78-83-1) + methyl 2,4-dichlorophenoxyacetate (1928-38-7) → 2,4-dichlorophenoxyacetic acid isobutyl ester (1713-15-1)

Guidance literature:

With D₂₀₁OH; at 120 ℃; for 4h; Large scale;

Reference yield:

isobutyl phenoxyacetate (5432-66-6) → 2,4-dichlorophenoxyacetic acid isobutyl ester (1713-15-1)

Guidance literature:

With chlorine; at 100 ℃; Reagent/catalyst; Large scale;

Reference yield:

isobutyl chloroacetate (13361-35-8) + phenol (108-95-2,27073-41-2) → 2,4-dichlorophenoxyacetic acid isobutyl ester (1713-15-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydrogencarbonate / toluene / 0.5 h / 80 °C / Large scale

2: chlorine / 100 °C / Large scale

With chlorine; sodium hydrogencarbonate; In toluene;

upstream raw materials:

isobutyl phenoxyacetate

isobutyl chloroacetate

phenol

2-methyl-propan-1-ol

Downstream raw materials:

2,4-Dichlorophenoxyacetic acid

Refernces

• 1、 -. "Preparation method of phenoxycarboxylic acid choline salt". Paragraph 0067; 0069. . Retrieved 2019/01/08.