4,5,6-Trihydroxybenzene-1,3-dicarbaldehyde

Base Information

• Chemical Name: 4,5,6-Trihydroxybenzene-1,3-dicarbaldehyde
• CAS No.: 58343-12-7
• Molecular Formula: C8H6O5
• Molecular Weight: 182.133
• European Community (EC) Number: 862-709-9
• Nikkaji Number: J3.611.097J
• Mol file: 58343-12-7.mol

Synonyms:4,5,6-trihydroxybenzene-1,3-dicarbaldehyde;58343-12-7;Pyrogallol-4,6-dicarbaldehyd;diformyl-trihydroxy-benzene;YSZC819;BS-52570;Heptadecafluorooctanesulfonicacidpotassiumsalt;CS-0169805;EN300-256471;F74880

Chemical Property of 4,5,6-Trihydroxybenzene-1,3-dicarbaldehyde

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 182.02152329
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,5,6-Trihydroxybenzene-1,3-dicarbaldehyde

There total 4 articles about 4,5,6-Trihydroxybenzene-1,3-dicarbaldehyde 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%

formamidine acetic acid (3473-63-0) + 2-hydroxyresorcinol (87-66-1) → 4,5,6-trihydroxyisophthalaldehyde (58343-12-7)

Guidance literature:

formamidine acetic acid; With acetic anhydride; In 1,4-dioxane; at 95 ℃; for 0.5h;

2-hydroxyresorcinol; In 1,4-dioxane; at 95 ℃; for 48h; Sealed tube;

With hydrogenchloride; water; for 18h;

DOI:10.1039/c6ob02727j

Reference yield: 50.0%

4,6-bis-(1,3-diphenyl-imidazolidin-2-yl)-benzene-1,2,3-triol (67149-28-4) → 4,5,6-trihydroxyisophthalaldehyde (58343-12-7)

Guidance literature:

With hydrogenchloride; water; at 25 ℃; for 2h;

DOI:10.15227/orgsyn.060.0049

Reference yield:

2-hydroxyresorcinol (87-66-1) → 4,5,6-trihydroxyisophthalaldehyde (58343-12-7)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorobenzene / 6 h / 100 °C / Inert atmosphere

2: hydrogenchloride; water / 2 h / 25 °C

With hydrogenchloride; water; In chlorobenzene;

DOI:10.15227/orgsyn.060.0049

upstream raw materials:

formamidine acetic acid

2-hydroxyresorcinol

4,6-bis-(1,3-diphenyl-imidazolidin-2-yl)-benzene-1,2,3-triol