1,3-Benzenedicarboxaldehyde, 2,4,6-trihydroxy-5-methyl-

Base Information

Chemical Name:1,3-Benzenedicarboxaldehyde, 2,4,6-trihydroxy-5-methyl-
CAS No.:854656-95-4
Molecular Formula:C₉H₈O₅
Molecular Weight:196.16
Hs Code.:
ChEMBL ID:CHEMBL224164
DSSTox Substance ID:DTXSID10468293
Wikidata:Q82295449

Synonyms:854656-95-4;1,3-Benzenedicarboxaldehyde, 2,4,6-trihydroxy-5-methyl-;2,4,6-trihydroxy-5-methyl-benzene-1,3-dicarbaldehyde;CHEMBL224164;DTXSID10468293

Suppliers and Price of 1,3-Benzenedicarboxaldehyde, 2,4,6-trihydroxy-5-methyl-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1,3-Benzenedicarboxaldehyde, 2,4,6-trihydroxy-5-methyl-

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:196.03717335
Heavy Atom Count:14
Complexity:207

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=C(C(=C1O)C=O)O)C=O)O

Technology Process of 1,3-Benzenedicarboxaldehyde, 2,4,6-trihydroxy-5-methyl-

There total 5 articles about 1,3-Benzenedicarboxaldehyde, 2,4,6-trihydroxy-5-methyl- 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: 43.0%

: 100-97-0
hexamethylenetetramine

: 88-03-9
2,4,6-trihydroxytoluene

: 854656-95-4
3,5-diformyl-2,4,6-trihydroxytoluene

Guidance literature:: With trifluoroacetic acid; at 70 ℃; for 20h;
DOI:10.1016/j.bmc.2005.10.027

Reference yield:

: 108-73-6
3,5-dihydroxyphenol

: 854656-95-4
3,5-diformyl-2,4,6-trihydroxytoluene

Guidance literature:: Multi-step reaction with 3 steps

1: POCl₃ / ethyl acetate / 0.5 h / 20 °C

2: sodium cyanoborohydride; methyl orange; hydrochloric acid / tetrahydrofuran / 12 h / 20 °C / pH 4.0

3: 43 percent / CF₃CO₂H / 20 h / 70 °C

With hydrogenchloride; methyl orange; sodium cyanoborohydride; trifluoroacetic acid; trichlorophosphate; In tetrahydrofuran; ethyl acetate; 1: Vilsmeier-Haack formylation / 3: Duff formylation;
DOI:10.1016/j.bmc.2005.10.027

Reference yield:

: 487-70-7
2,4,6-trihydroxybenzaldehyde

: 854656-95-4
3,5-diformyl-2,4,6-trihydroxytoluene

Guidance literature:: Multi-step reaction with 2 steps

1: sodium cyanoborohydride; methyl orange; hydrochloric acid / tetrahydrofuran / 12 h / 20 °C / pH 4.0

2: 43 percent / CF₃CO₂H / 20 h / 70 °C

With hydrogenchloride; methyl orange; sodium cyanoborohydride; trifluoroacetic acid; In tetrahydrofuran; 2: Duff formylation;
DOI:10.1016/j.bmc.2005.10.027