2,4,6-Trihydroxy-3-(3-methylbutanoyl)benzaldehyde

Base Information

Chemical Name:2,4,6-Trihydroxy-3-(3-methylbutanoyl)benzaldehyde
CAS No.:78423-49-1
Molecular Formula:C12H14O5
Molecular Weight:238.24
Hs Code.:
ChEMBL ID:CHEMBL225249
DSSTox Substance ID:DTXSID10587418
Wikidata:Q82479839

Synonyms:2,4,6-trihydroxy-3-(3-methylbutanoyl)benzaldehyde;78423-49-1;3-Formyl Phloroisovalerophenone;CHEMBL225249;DTXSID10587418;CCG-223432;2,4,6-trihydroxy-3-(3-methyl-1-oxobutyl)benzaldehyde

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Supply Marketing:

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

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Chemical Property of 2,4,6-Trihydroxy-3-(3-methylbutanoyl)benzaldehyde

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:238.08412354
Heavy Atom Count:17
Complexity:289

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2,4,6-Trihydroxy-3-(3-methylbutanoyl)benzaldehyde

There total 8 articles about 2,4,6-Trihydroxy-3-(3-methylbutanoyl)benzaldehyde 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: 70.0%

: 26103-97-9
phloroisovalerophenone

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 78423-49-1
formyl isovaleryl phloroglucinol

Guidance literature:: With trichlorophosphate; at 20 ℃; for 1h;
DOI:10.1071/CH05061

Reference yield: 70.0%

: 26103-97-9
phloroisovalerophenone

: 122-51-0
orthoformic acid triethyl ester

: 78423-49-1
formyl isovaleryl phloroglucinol

Guidance literature:: With aluminium trichloride; In dichloromethane; 10 min, RT; 30 min;

Reference yield:

: 108-73-6
3,5-dihydroxyphenol

: 78423-49-1
formyl isovaleryl phloroglucinol

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / AlCl₃ / CS₂ / 0.5 h / 50 °C

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

With aluminium trichloride; trichlorophosphate; In carbon disulfide; ethyl acetate; 1: Friedel-Crafts reaction / 2: Vilsmeier-Haack formylation;
DOI:10.1016/j.bmc.2005.10.027