2',4',6'-Trihydroxy-3'-formyldihydrochalcone

Base Information

• Chemical Name: 2',4',6'-Trihydroxy-3'-formyldihydrochalcone
• CAS No.: 135383-81-2
• Molecular Formula: C16H14 O5
• Molecular Weight: 286.2794
• DSSTox Substance ID: DTXSID10331872
• Nikkaji Number: J640.355G
• Wikidata: Q27103530
• Metabolomics Workbench ID: 26962
• ChEMBL ID: CHEMBL3905491
• Mol file: 135383-81-2.mol

Synonyms:2',4',6'-Trihydroxy-3'-formyldihydrochalcone;135383-81-2;2,4,6-trihydroxy-3-(3-phenylpropanoyl)benzaldehyde;3'-Formyl-2',4',6'-trihydroxydihydrochalcone;C09975;SCHEMBL4742902;CHEMBL3905491;CHEBI:28150;DTXSID10331872;LMPK12120487;Q27103530;2,4,6-trihydroxy-3-( 1-oxo-3-phenylpropyl)benzaldehyde

Chemical Property of 2',4',6'-Trihydroxy-3'-formyldihydrochalcone

Chemical Property:

• Vapor Pressure: 8.15E-10mmHg at 25°C
• Boiling Point: 479.4°Cat760mmHg
• Flash Point: 257.8°C
• Density: 1.395g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 286.08412354
• Heavy Atom Count: 21
• Complexity: 364

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC(=O)C2=C(C=C(C(=C2O)C=O)O)O

Technology Process of 2',4',6'-Trihydroxy-3'-formyldihydrochalcone

There total 5 articles about 2',4',6'-Trihydroxy-3'-formyldihydrochalcone 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: 61.0%

2',4',6'-trihydroxydihydrochalcone (1088-08-0) + dicyanozinc (557-21-1) → 3′-formyl-2′,4′,6′-trihydroxydihydrochalcone (135383-81-2)

Guidance literature:

2',4',6'-trihydroxydihydrochalcone; dicyanozinc; With hydrogenchloride; aluminium trichloride; In diethyl ether; at -20 - -10 ℃;

With water; for 1h; Heating;

DOI:10.1016/S0040-4020(03)00940-2

Reference yield: 35.0%

Dichloromethyl methyl ether (4885-02-3) + 2',4',6'-trihydroxydihydrochalcone (1088-08-0) → 3′-formyl-2′,4′,6′-trihydroxydihydrochalcone (135383-81-2)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at -78 - 0 ℃; Inert atmosphere;

DOI:10.1021/acs.jnatprod.6b00474

Reference yield:

3,5-dihydroxyphenol (108-73-6) → 3′-formyl-2′,4′,6′-trihydroxydihydrochalcone (135383-81-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ZnCl₂; HCl gas / diethyl ether / -20 - -10 °C

1.2: 71 percent / H₂O / 2 h / Heating

2.1: AlCl₃; HCl gas / diethyl ether / -20 - -10 °C

2.2: 61 percent / H₂O / 1 h / Heating

With hydrogenchloride; aluminium trichloride; zinc(II) chloride; In diethyl ether;

DOI:10.1016/S0040-4020(03)00940-2

upstream raw materials:

2',4',6'-trihydroxydihydrochalcone

dicyanozinc

3,5-dihydroxyphenol

dihydrocinnamonitrile

Downstream raw materials:

1-(2,4,6-trihydroxy-3-methyl)phenyl-3-phenyl-1-propanone