2-(4-Chlorophenoxy)-2-methylpropanoyl chloride

Base Information

• Chemical Name: 2-(4-Chlorophenoxy)-2-methylpropanoyl chloride
• CAS No.: 5542-60-9
• Molecular Formula: C10H10Cl2O2
• Molecular Weight: 233.094
• Hs Code.: 2918990090
• European Community (EC) Number: 806-123-3
• DSSTox Substance ID: DTXSID90381779
• Wikidata: Q82172831
• Mol file: 5542-60-9.mol

Synonyms:2-(4-chlorophenoxy)-2-methylpropanoyl chloride;5542-60-9;p-chlorophenoxyisobutyryl chloride;2-(4-Chlorophenoxy)-2-Methylpropanoylchloride;2-(4-Chloro-phenoxy)-2-methyl-propionyl chloride;2-(4-chlorophenoxy)-2-methylpropionyl chloride;SCHEMBL135713;DTXSID90381779;OODRWLGKUBMFLZ-UHFFFAOYSA-N;BBL014155;MFCD00128244;STL196565;AKOS000297239;p-chlorophenoxy-isobutyric acid chloride;2-(4-chlorophenoxy)-isobutyryl chloride;AS-31420;2-(p-chlorophenoxy)-isobutyric acid chloride;BB 0244891;FT-0608610;p-chlorophenoxy-2-methylpropionic acid chloride;2- (4-chlorophenoxy) -2-methylpropionyl chloride;A830637;2-(4-chloranylphenoxy)-2-methyl-propanoyl chloride;2-(4-Chloro-phenoxy)-2-methyl-propionyl chloride;2-(4-chlorphenoxy)-2-methylpropionic acid chloride

Chemical Property of 2-(4-Chlorophenoxy)-2-methylpropanoyl chloride

Chemical Property:

• Boiling Point: 284.074 °C at 760 mmHg
• Flash Point: 112.489 °C
• PSA: 26.30000
• Density: 1.271 g/cm³
• LogP: 3.26280
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 232.0057849
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-chlorophenoxy)-2-methylpropanoyl chloride ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)Cl)OC1=CC=C(C=C1)Cl

Technology Process of 2-(4-Chlorophenoxy)-2-methylpropanoyl chloride

There total 5 articles about 2-(4-Chlorophenoxy)-2-methylpropanoyl chloride 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: 100.0%

Clofibric acid (882-09-7) → clofibryl chloride (5542-60-9)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃;

DOI:10.1039/c7dt04614f

Reference yield:

methyl phosphite (96-36-6,868-85-9) + dibutylamine (111-92-2) + dimethyl p-chlorophenoxyisobutyrylphosphonate (81928-53-2) → clofibryl chloride (5542-60-9)

Guidance literature:

In hexane;

Reference yield:

4-chloro-phenol (106-48-9,82344-39-6) → clofibryl chloride (5542-60-9)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH / ethanol / 24 h / Heating

2: SOCl₂ / 1 h / Heating

With sodium hydroxide; thionyl chloride; In ethanol;

DOI:10.1021/jm00037a023

upstream raw materials:

Clofibric acid

4-chloro-phenol

sodium 4-chlorophenolate

methyl phosphite

Downstream raw materials:

α-(4-chloro-phenoxy)-isobutyric acid octyl ester

2-(4-chloro-phenoxy)-2-methyl-propionic acid 2-morpholin-4-yl-2-oxo-ethyl ester

norethisterone 2-methyl-2-(p-chlorophenoxy)propaonate

Duolip

Refernces

• 1、 Green, James R.,St. Onge, Brent. "The formation of benzoxacin-3-ones: Via intramolecular Nicholas reactions and synthesis of 8-membered heliannuols". supporting information. p. 7152 - 7155. Retrieved 2021/08/30.
• 2、 -. "Diester compounds of PPAR protein activator". Paragraph 0156; 0161; 0165. . Retrieved 2020/12/15.