Ethyl 3-(4-carboethoxyphenyl)propionate

Base Information

• Chemical Name: Ethyl 3-(4-carboethoxyphenyl)propionate
• CAS No.: 38628-52-3
• Molecular Formula: C14H18O4
• Molecular Weight: 250.295
• DSSTox Substance ID: DTXSID70458791
• Nikkaji Number: J1.772.571H
• Wikidata: Q82282315
• Mol file: 38628-52-3.mol

Synonyms:ethyl 3-(4-carboethoxyphenyl)propionate;38628-52-3;SCHEMBL7766764;DTXSID70458791;OYMFFRUCMOQDON-UHFFFAOYSA-N;4-(Ethoxycarbonyl)benzenepropionic acid ethyl ester

Chemical Property of Ethyl 3-(4-carboethoxyphenyl)propionate

Chemical Property:

• Boiling Point: 346.2±25.0 °C(Predicted)
• PSA: 52.60000
• Density: 1.089±0.06 g/cm3(Predicted)
• LogP: 2.35900
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 250.12050905
• Heavy Atom Count: 18
• Complexity: 267

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC1=CC=C(C=C1)C(=O)OCC

Technology Process of Ethyl 3-(4-carboethoxyphenyl)propionate

There total 12 articles about Ethyl 3-(4-carboethoxyphenyl)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: 97.0%

(E)-4-(2-ethoxycarbonylvinyl)benzoic acid ethyl ester → 3-(4-(ethoxycarbonyl)phenyl)propanoic acid ethyl ester (38628-52-3)

Guidance literature:

With palladium 10% on activated carbon; In ethanol; at 20 ℃; for 12h; Inert atmosphere;

Reference yield: 92.0%

3-(4-carboxyphenyl)propionic acid (38628-51-2) → 3-(4-(ethoxycarbonyl)phenyl)propanoic acid ethyl ester (38628-52-3)

Guidance literature:

With sulfuric acid; In ethanol; water;

Reference yield: 92.0%

(3-ethoxy-3-oxopropyl)boronic acid (910248-12-3) + ethyl 4-chlorobenzoate (7335-27-5) → 3-(4-(ethoxycarbonyl)phenyl)propanoic acid ethyl ester (38628-52-3)

Guidance literature:

With sodium carbonate; caesium carbonate; palladium diacetate; In toluene; at 105 ℃; Product distribution / selectivity;

upstream raw materials:

3-(4-carboxyphenyl)propionic acid

Ethyl 4-bromobenzoate

ethyl acrylate

acrylaldehyde diethyl acetal

Downstream raw materials:

p-(3-Hydroxypropyl)-benzylalkohol-bis-p-nitrobenzoat