Ethyl 4-(2-chloroethoxy)benzoate

Base Information

• Chemical Name: Ethyl 4-(2-chloroethoxy)benzoate
• CAS No.: 40992-21-0
• Molecular Formula: C11H13ClO3
• Molecular Weight: 228.675
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID90541755
• Wikidata: Q72473589
• Mol file: 40992-21-0.mol

Synonyms:ETHYL 4-(2-CHLOROETHOXY)BENZOATE;40992-21-0;SCHEMBL6776708;DTXSID90541755;TZDFSADZWOUTMD-UHFFFAOYSA-N;AKOS014351440;ETHYL4-(2-CHLOROETHOXY)BENZOATE;2-(p-Ethoxycarbonylphenoxy)-1-chloroethane

Chemical Property of Ethyl 4-(2-chloroethoxy)benzoate

Chemical Property:

• Vapor Pressure: 0.000174mmHg at 25°C
• Refractive Index: 1.512
• Boiling Point: 329.7 °C at 760 mmHg
• Flash Point: 135.2 °C
• PSA: 35.53000
• Density: 1.168 g/cm³
• LogP: 2.48090
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 228.0553220
• Heavy Atom Count: 15
• Complexity: 188

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)OCCCl

Technology Process of Ethyl 4-(2-chloroethoxy)benzoate

There total 2 articles about Ethyl 4-(2-chloroethoxy)benzoate 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: 86.0%

Ethyl 4-hydroxybenzoate (120-47-8) + 1-Bromo-2-chloroethane (107-04-0) → 4-(2-chloro-ethoxy)-benzoic acid ethyl ester (40992-21-0)

Guidance literature:

With potassium carbonate; In acetone; for 10h; Reflux;

DOI:10.1016/j.ejmech.2019.05.080

Reference yield:

ethyl 4-(2-hydroxyethoxy)benzoate (25389-23-5) → 4-(2-chloro-ethoxy)-benzoic acid ethyl ester (40992-21-0)

Guidance literature:

With thionyl chloride;

DOI:10.1039/jr9580003065

Reference yield: 92.0%

4-(2-chloro-ethoxy)-benzoic acid ethyl ester (40992-21-0) → 4-(2-chloroethoxy)benzoic acid (65136-51-8)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 3h; Reflux;

DOI:10.1016/j.ejmech.2019.05.080

upstream raw materials:

ethyl 4-(2-hydroxyethoxy)benzoate

Ethyl 4-hydroxybenzoate

1-Bromo-2-chloroethane

Downstream raw materials:

1-[2-(4-ethoxycarbonyl-phenoxy)-ethyl]-4-phenyl-piperidine-4-carboxylic acid ethyl ester

ethylene glycol bis[4-(ethoxycarbonyl)phenyl] ether

4-(2-chloroethoxy)benzoic acid