1,3-Benzenedicarboxylicacid,5-ethoxy-(9CI)

Base Information

• Chemical Name: 1,3-Benzenedicarboxylicacid,5-ethoxy-(9CI)
• CAS No.: 203626-61-3
• Molecular Formula: C₁₀H₁₀O₅
• Molecular Weight: 210.186
• Mol file: 203626-61-3.mol

Synonyms:5-Ethoxybenzene-1,3-dicarboxylicacid

Chemical Property of 1,3-Benzenedicarboxylicacid,5-ethoxy-(9CI)

Chemical Property:

• Melting Point: 245-248 °C
• Boiling Point: 441.7±30.0 °C(Predicted)
• PKA: 3.43±0.10(Predicted)
• PSA: 83.83000
• Density: 1.355±0.06 g/cm3(Predicted)
• LogP: 1.48170

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,3-Benzenedicarboxylicacid,5-ethoxy-(9CI)

There total 4 articles about 1,3-Benzenedicarboxylicacid,5-ethoxy-(9CI) 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%

dimethyl 5-ethoxyisophthalate (474407-10-8) → 5-ethoxybenzene-1,3-dicarboxylic acid (203626-61-3)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; for 6h; Reflux;

DOI:10.1002/chem.201700848

Reference yield: 29.0%

ethyl bromide (74-96-4) + Dimethyl 5-hydroxyisophthalate (13036-02-7) → 5-ethoxybenzene-1,3-dicarboxylic acid (203626-61-3)

Guidance literature:

ethyl bromide; Dimethyl 5-hydroxyisophthalate; With potassium carbonate; In N,N-dimethyl-formamide; at 85 ℃;

With sodium hydroxide; In water; for 4h;

DOI:10.1039/c7dt01195d

Reference yield:

Dimethyl 5-hydroxyisophthalate (13036-02-7) → 5-ethoxybenzene-1,3-dicarboxylic acid (203626-61-3)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide

2: lithium hydroxide / tetrahydrofuran / 6 h / Reflux

With potassium carbonate; lithium hydroxide; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1002/chem.201700848

upstream raw materials:

Dimethyl 5-hydroxyisophthalate

dimethyl 5-ethoxyisophthalate

ethyl bromide

5-Hydroxyisophthalic acid

Refernces

• 1、 Frederick, Esther,Cojal González, José D.,Rabe, Jürgen P.,Bernasek, Steven L.. "Two-Dimensional versus Three-Dimensional Self-Assembly of a Series of 5-Alkoxyisophthalic Acids". . p. 10739 - 10747. Retrieved 2018/09/06.
• 2、 Schneemann, Andreas,Rudolf, Robin,Henke, Sebastian,Takahashi, Yukiko,Banh, Hung,Hante, Inke,Schneider, Christian,Noro, Shin-Ichiro,Fischer, Roland A.. "Linker functionalisation triggers an alternative 3D-topology for Zn-isophthalate-4,4′-bipyridine frameworks". supporting information. p. 8198 - 8203. Retrieved 2017/07/10.