Octyl (R)-2-(4-chloro-2-methylphenoxy)propionate

Base Information

• Chemical Name: Octyl (R)-2-(4-chloro-2-methylphenoxy)propionate
• CAS No.: 66423-13-0
• Molecular Formula: C18H27ClO3
• Molecular Weight: 326.8582
• European Community (EC) Number: 266-358-7
• DSSTox Substance ID: DTXSID00216644
• Nikkaji Number: J286.788E
• Wikidata: Q76390107
• Mol file: 66423-13-0.mol

Synonyms:Octyl (R)-2-(4-chloro-2-methylphenoxy)propionate;66423-13-0;EINECS 266-358-7;octyl (2R)-2-(4-chloro-2-methylphenoxy)propanoate;EC 266-358-7;octyl(r)-2-(4-chloro-2-methylphenoxy)propionate;DTXSID00216644;(R)-2-(4-Chloro-2-methylphenoxy)propionic acid octyl ester

Chemical Property of Octyl (R)-2-(4-chloro-2-methylphenoxy)propionate

Chemical Property:

• Vapor Pressure: 1.16E-06mmHg at 25°C
• Boiling Point: 401.6°Cat760mmHg
• Flash Point: 132.8°C
• PSA: 35.53000
• Density: 1.052g/cm³
• LogP: 5.31940
• Water Solubility.: 100μg/L at 20℃
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 326.1648724
• Heavy Atom Count: 22
• Complexity: 309

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC(=O)C(C)OC1=C(C=C(C=C1)Cl)C
• Isomeric SMILES: CCCCCCCCOC(=O)[C@@H](C)OC1=C(C=C(C=C1)Cl)C

Technology Process of Octyl (R)-2-(4-chloro-2-methylphenoxy)propionate

There total 2 articles about Octyl (R)-2-(4-chloro-2-methylphenoxy)propionate 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: 95.0%

octanol (111-87-5) + (R)-2-(4-chloro-2-methylphenoxy)propionic acid ethyl ester (66513-22-2,40390-11-2) → (R)-2-(4-chloro-2-methylphenoxy)propionic acid octyl ester (66423-13-0,161922-37-8)

Guidance literature:

With dibutyltin dilaurate; at 120 ℃; Temperature; Reagent/catalyst;

Reference yield:

(S)-Ethyl lactate (687-47-8) → (R)-2-(4-chloro-2-methylphenoxy)propionic acid octyl ester (66423-13-0,161922-37-8)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / toluene

2: sodium hydroxide / N,N-dimethyl-formamide

3: dibutyltin dilaurate / 120 °C

With dibutyltin dilaurate; triethylamine; sodium hydroxide; In N,N-dimethyl-formamide; toluene;

upstream raw materials:

octanol

(R)-2-(4-chloro-2-methylphenoxy)propionic acid ethyl ester

(S)-Ethyl lactate