MCPA-isobutyl

Base Information

• Chemical Name: MCPA-isobutyl
• CAS No.: 1713-11-7
• Molecular Formula: C13H17 Cl O3
• Molecular Weight: 256.729
• European Community (EC) Number: 216-988-3
• UNII: 5MV8ZWP17M
• DSSTox Substance ID: DTXSID0042113
• Nikkaji Number: J203.105A
• Wikidata: Q27262575
• Mol file: 1713-11-7.mol

Synonyms:MCPA-isobutyl;Isobutyl 4-chloro-o-tolyloxyacetate;1713-11-7;MCPA, isobutyl ester;MCPA-isobutyl [ISO];2-methylpropyl 2-(4-chloro-2-methylphenoxy)acetate;Acetic acid, ((4-chloro-o-tolyl)oxy)-, isobutyl ester;EINECS 216-988-3;UNII-5MV8ZWP17M;5MV8ZWP17M;Isobutyl 2-methyl-4-chlorophenoxyacetate;Acetic acid, (4-chloro-2-methylphenoxy)-, 2-methylpropyl ester;Acetic acid, [(4-chloro-o-tolyl)oxy]-, isobutyl ester;MCPA ISOBUTYL;2M-4C, isobutyl ester;MCPA ISOBUTYL ESTER;SCHEMBL4883831;DTXSID0042113;isobutyl 2-(4-chloro-2-methylphenoxy)acetate;(4-Chloro-2-methylphenoxy)acetic acid isobutyl ester;Q27262575;ACETIC ACID, 2-(4-CHLORO-2-METHYLPHENOXY)-, 2-METHYLPROPYL ESTER

Chemical Property of MCPA-isobutyl

Chemical Property:

• Vapor Pressure: 0.000213mmHg at 25°C
• Boiling Point: 326.6°Cat760mmHg
• Flash Point: 121.7°C
• PSA: 35.53000
• Density: 1.125g/cm³
• LogP: 3.22640
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 256.0866221
• Heavy Atom Count: 17
• Complexity: 243

Purity/Quality:

98%Min ^*data from raw suppliers

ISOBUTYL-4-CHLORO-O-TOLYLOXYACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)Cl)OCC(=O)OCC(C)C

Technology Process of MCPA-isobutyl

There total 2 articles about MCPA-isobutyl 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:

isobutyl o-tolyloxyacetate → 4-chloro-2-methylphenoxyacetic acid isobutyl ester (1713-11-7)

Guidance literature:

With aluminum (III) chloride; Santonox R; sulfuryl dichloride; at 80 ℃; for 0.5h;

Reference yield:

isobutyl chloroacetate (13361-35-8) + ortho-cresol (95-48-7,77504-84-8) → 4-chloro-2-methylphenoxyacetic acid isobutyl ester (1713-11-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / toluene / 0.5 h / 100 °C

2: sulfuryl dichloride; aluminum (III) chloride; Santonox R / 0.5 h / 80 °C

With aluminum (III) chloride; Santonox R; sulfuryl dichloride; sodium hydroxide; In toluene;

Reference yield:

4-chloro-2-methylphenoxyacetic acid isobutyl ester (1713-11-7) → 4-Chloro-2-methylphenoxyacetic acid potassium salt (5221-16-9)

Guidance literature:

With potassium hydroxide; at 90 ℃; for 4h;

upstream raw materials:

isobutyl chloroacetate

ortho-cresol

Downstream raw materials:

4-Chloro-2-methylphenoxyacetic acid potassium salt

MCPA

Refernces

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