1,4-Benzenedicarboxylic acid, 2-(2-hydroxyethoxy)-

Base Information

• Chemical Name: 1,4-Benzenedicarboxylic acid, 2-(2-hydroxyethoxy)-
• CAS No.: 111822-80-1
• Molecular Formula: C10H10O6
• Molecular Weight: 226.18300
• DSSTox Substance ID: DTXSID40554032
• Wikidata: Q82434832
• Mol file: 111822-80-1.mol

Synonyms:111822-80-1;1,4-Benzenedicarboxylic acid, 2-(2-hydroxyethoxy)-;2-(2-hydroxyethoxy)terephthalic acid;2-(2-Hydroxyethoxy)benzene-1,4-dicarboxylic acid;SCHEMBL734285;DTXSID40554032

Chemical Property of 1,4-Benzenedicarboxylic acid, 2-(2-hydroxyethoxy)-

Chemical Property:

• Vapor Pressure: 1.42E-10mmHg at 25°C
• Melting Point: 223-224 °C
• Boiling Point: 493.9oC at 760 mmHg
• PKA: 3.01±0.36(Predicted)
• Flash Point: 200.2oC
• PSA: 104.06000
• Density: 1.483g/cm3
• LogP: 0.45410
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 226.04773803
• Heavy Atom Count: 16
• Complexity: 264

Purity/Quality:

2-(2-HYDROXYETHOXY)-1,4-BENZENEDICARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)OCCO)C(=O)O

Technology Process of 1,4-Benzenedicarboxylic acid, 2-(2-hydroxyethoxy)-

There total 2 articles about 1,4-Benzenedicarboxylic acid, 2-(2-hydroxyethoxy)- 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: 76.0%

2-hydroxyterephthalic acid (636-94-2) + 2-chloro-ethanol (107-07-3) → 2-(2'-hydroxyethoxy)terephthalic acid (111822-80-1)

Guidance literature:

With sodium hydroxide; In water; for 48h; Ambient temperature;

DOI:10.1021/jo00237a044

Reference yield:

2-bromo-1,4-benzenedicarboxylic acid (586-35-6) → 2-(2'-hydroxyethoxy)terephthalic acid (111822-80-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / NaOH, NaOAc, Cu / H₂O / 72 h / Heating

2: 76 percent / NaOH / H₂O / 48 h / Ambient temperature

With sodium hydroxide; sodium acetate; copper; In water;

DOI:10.1021/jo00237a044

Reference yield: 92.0%

acetic anhydride (108-24-7) + 2-(2'-hydroxyethoxy)terephthalic acid (111822-80-1) → 5-Oxo-2,3-dihydro-5H-benzo[e][1,4]dioxepine-8-carboxylic acid + 2-(2'-acetoxyethoxy)terephthalic acid (111822-81-2)

Guidance literature:

With pyridine; In chloroform; for 2h; Heating;

DOI:10.1021/jo00237a044

upstream raw materials:

2-hydroxyterephthalic acid

2-chloro-ethanol

2-bromo-1,4-benzenedicarboxylic acid

Downstream raw materials:

2-(2'-acetoxyethoxy)terephthalic acid

2-(2'-hydroxyethoxy)-7,7,8,8-tetracyano-p-quinodimethane

Acetic acid 2-(2,5-bis-chlorocarbonyl-phenoxy)-ethyl ester

2-(2'-acetoxyethoxy)-7,7,8,8-tetracyano-p-quinodimethane