4,6-Dihydroxyisophthalic acid

Base Information

• Chemical Name: 4,6-Dihydroxyisophthalic acid
• CAS No.: 19829-74-4
• Molecular Formula: C8H6 O6
• Molecular Weight: 198.132
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID50467841
• Nikkaji Number: J82.902A
• Wikidata: Q72466712
• Mol file: 19829-74-4.mol

Synonyms:4,6-dihydroxyisophthalic acid

Chemical Property of 4,6-Dihydroxyisophthalic acid

Chemical Property:

• Melting Point: 308-310℃
• Boiling Point: 551.0±35.0 °C(Predicted)
• PKA: 2.56±0.10(Predicted)
• PSA: 115.06000
• Density: 1.779
• LogP: 0.49420
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 198.01643791
• Heavy Atom Count: 14
• Complexity: 226

Purity/Quality:

97% ^*data from raw suppliers

4,6-DihydroxyisophthalicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,6-Dihydroxyisophthalic acid

There total 22 articles about 4,6-Dihydroxyisophthalic 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: 97.0%

carbon dioxide (124-38-9,18923-20-1) + recorcinol (108-46-3) → 4,6-dihydroxyisophthalic acid (19829-74-4)

Guidance literature:

With potassium hydrogencarbonate; at 230 ℃; for 6h; under 41372.9 Torr;

DOI:10.1016/j.bmcl.2011.05.026

Reference yield: 75.9%

carbon dioxide (124-38-9,18923-20-1) + potassium hydrogencarbonate (298-14-6) + recorcinol (108-46-3) → 4,6-dihydroxyisophthalic acid (19829-74-4)

Guidance literature:

carbon dioxide; potassium hydrogencarbonate; recorcinol; at 200 ℃; for 6h; Autoclave;

In water; for 0.166667h;

With hydrogenchloride; In water; pH=1;

DOI:10.1002/bkcs.12201

Reference yield: 72.0%

potassium hydrogencarbonate (298-14-6) + recorcinol (108-46-3) → 4,6-dihydroxyisophthalic acid (19829-74-4)

Guidance literature:

at 210 ℃; for 3h; Sealed tube;

DOI:10.1016/j.tetlet.2016.06.098

upstream raw materials:

4,6-dimethoxy-isophthalic acid

4-amino-6-hydroxyisophthalic acid

carbon dioxide

recorcinol

Downstream raw materials:

4,6-bis-octyloxyisophthalic acid monomethyl ester

5-((((5-methoxycarbonyl-2,4-dioctyloxy)phenylcarbonyl)aminomethylcarbonyl)amino)-2-octyloxy-N-hexylbenzamide

5-((((5-hydroxycarbonyl-2,4-dioctyloxy)phenylcarbonyl)aminomethylcarbonyl)ammino)-2-octyloxy-N-hexylbenzamide