MCPA-butyl

Base Information

• Chemical Name: MCPA-butyl
• CAS No.: 1713-12-8
• Molecular Formula: C13H17 Cl O3
• Molecular Weight: 256.729
• Hs Code.: 2918990090
• European Community (EC) Number: 216-989-9
• UNII: D103H30012
• DSSTox Substance ID: DTXSID5042112
• Wikidata: Q27275952
• Mol file: 1713-12-8.mol

Synonyms:MCPA-butyl;1713-12-8;MCPA butyl;MCPA-1-BUTYL ESTER;MCP butyl ester;MCPA-butyl [ISO];Yamaclean M;MCPA, butyl ester;Butyl 4-chloro-o-tolyloxyacetate;butyl 2-(4-chloro-2-methylphenoxy)acetate;Acetic acid, ((4-chloro-o-tolyl)oxy)-, butyl ester;Butyl 2-methyl-4-chlorophenoxyacetate;MCPA Butyl Ester;Acetic acid, (4-chloro-2-methylphenoxy)-, butyl ester;EINECS 216-989-9;UNII-D103H30012;MCPA-1-butyl ester;2-Methyl-4-chlorophenoxyacetic acid n-butyl ester;D103H30012;Acetic acid, [(4-chloro-o-tolyl)oxy]-, butyl ester;MCP-BUTYL;SCHEMBL4884515;DTXSID5042112;AKOS005943141;BUTYL 4-CHLORO-2-METHYLPHENOXYACETATE;4-chloro-2-methylphenoxyacetic acid n-butyl ester;W-109700;Q27275952;2-METHYL-4-CHLOROPHENOXYACETIC ACID BUTYL ESTER;ACETIC ACID, 2-(4-CHLORO-2-METHYLPHENOXY)-, BUTYL ESTER

Chemical Property of MCPA-butyl

Chemical Property:

• Vapor Pressure: 0.000148mmHg at 25°C
• Boiling Point: 332.2°Cat760mmHg
• Flash Point: 124.8°C
• PSA: 35.53000
• Density: 1.127g/cm³
• LogP: 3.37050
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 256.0866221
• Heavy Atom Count: 17
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)COC1=C(C=C(C=C1)Cl)C
• Uses: MCPA-1-butyl Ester is a herbicide which is absorbed by leaves and roots. They are preferred than the parent compound MCPA (C369470) due to low solubility in water and environmental friendliness.

Technology Process of MCPA-butyl

There total 7 articles about MCPA-butyl 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: 98.92%

methyl 2-(4-chloro-2-methylphenoxy)acetate (2436-73-9) + butan-1-ol (71-36-3) → n-butyl 4-chloro-2-methylphenoxyacetate (1713-12-8)

Guidance literature:

With macroporous styrenic strong base anion exchange resin D₂₀₁OH; at 120 ℃;

Reference yield:

n-butyl o-tolyloxyacetate → n-butyl 4-chloro-2-methylphenoxyacetate (1713-12-8)

Guidance literature:

With iron(III) chloride; thionyl chloride; tert-butyl methyl sulphide; at 40 ℃; for 0.5h;

Reference yield:

butyl chloroacetate (590-02-3) + ortho-cresol (95-48-7,77504-84-8) → n-butyl 4-chloro-2-methylphenoxyacetate (1713-12-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / toluene / 0.5 h / 120 °C

2: iron(III) chloride; tert-butyl methyl sulphide; thionyl chloride / 0.5 h / 40 °C

With iron(III) chloride; thionyl chloride; tert-butyl methyl sulphide; potassium carbonate; In toluene;

upstream raw materials:

butyl chloroacetate

ortho-cresol

methyl 2-methylphenoxy acetate

methyl 2-(4-chloro-2-methylphenoxy)acetate

Downstream raw materials:

sodium 2-methyl-4-chlorophenoxyacetate

MCPA

Refernces

• 1、 -. "Preparation method of phenoxycarboxylic acid herbicide". . . Retrieved 2019/01/08.
• 2、 -. "A phenoxy carboxylic acid herbicide preparation method (by machine translation)". Paragraph 0081; 0083; 0118; 0120. . Retrieved 2019/01/08.