2,6-dihydroxyterephthalic Acid

Base Information

• Chemical Name: 2,6-dihydroxyterephthalic Acid
• CAS No.: 69660-39-5
• Molecular Formula: C₈H₆O₆
• Molecular Weight: 198.132
• Hs Code.: 2922498590
• DSSTox Substance ID: DTXSID001267138
• Nikkaji Number: J3.204.864A
• Mol file: 69660-39-5.mol

Synonyms:2,6-dihydroxyterephthalic Acid;69660-39-5;2,6-dihydroxy-1,4-benzenedicarboxylic acid;1,4-Benzenedicarboxylic acid, 2,6-dihydroxy-;2,6-dihydroxybenzene-1,4-dicarboxylic acid;SCHEMBL1042051;2,6-dihydroxy-terephthalic acid;DTXSID001267138;MFCD01570246;BS-45773;E83836

Chemical Property of 2,6-dihydroxyterephthalic Acid

Chemical Property:

• Boiling Point: 492.7±45.0 °C(Predicted)
• PKA: 0.85±0.14(Predicted)
• Density: 1.779±0.06 g/cm3(Predicted)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 198.01643791
• Heavy Atom Count: 14
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

2,6-DIHYDROXYTEREPHTHALIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)C(=O)O)O)C(=O)O

Technology Process of 2,6-dihydroxyterephthalic Acid

There total 4 articles about 2,6-dihydroxyterephthalic Acid 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: 80.0%

carbon dioxide (124-38-9,18923-20-1) + 3,5-Dihydroxybenzoic acid (99-10-5) → 2,5-dihydroxy-1,4-benzenedicarboxylic acid (69660-39-5)

Guidance literature:

With potassium hydrogencarbonate; In propylene glycol; at 180 ℃; for 6h; Inert atmosphere; Sealed tube;

DOI:10.1039/c9ra06839b

Reference yield:

3,5-Dihydroxybenzoic acid (99-10-5) → 2,5-dihydroxy-1,4-benzenedicarboxylic acid (69660-39-5)

Guidance literature:

With glycerol; unter Durchleiten von Kohlendioxyd im Phenolbad;

Reference yield:

3,5-Dihydroxybenzoic acid (99-10-5) → 2,5-dihydroxy-1,4-benzenedicarboxylic acid (69660-39-5)

Guidance literature:

upstream raw materials:

3,5-Dihydroxybenzoic acid

carbon dioxide