Tetrahydrobisdemethoxydiferuloylmethane

Base Information

• Chemical Name: Tetrahydrobisdemethoxydiferuloylmethane
• CAS No.: 113482-94-3
• Molecular Formula: C19H20 O4
• Molecular Weight: 312.365
• European Community (EC) Number: 601-255-6,920-193-3
• UNII: 973IBV8W7I
• DSSTox Substance ID: DTXSID60150419
• Nikkaji Number: J675.984J
• Wikidata: Q27271959
• Metabolomics Workbench ID: 134123
• ChEMBL ID: CHEMBL443146
• Mol file: 113482-94-3.mol

Synonyms:1,7-bis(4-hydroxyphenyl)heptan-3,5-dione;letestuianin C

Chemical Property of Tetrahydrobisdemethoxydiferuloylmethane

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.596
• Boiling Point: 523.254°C at 760 mmHg
• Flash Point: 284.333°C
• PSA: 74.60000
• Density: 1.217g/cm³
• LogP: 3.19150
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 312.13615911
• Heavy Atom Count: 23
• Complexity: 341

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCC(=O)CC(=O)CCC2=CC=C(C=C2)O)O

Technology Process of Tetrahydrobisdemethoxydiferuloylmethane

There total 12 articles about Tetrahydrobisdemethoxydiferuloylmethane 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: 75.0%

bisdemethoxycurcumin (22608-12-4,24939-16-0,33171-05-0,91884-88-7) → 1,7-bis(4-hydroxyphenyl)heptane-3,5-dione (113482-94-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 4h; under 760.051 Torr;

DOI:10.1016/j.ejmech.2009.11.035

Reference yield: 72.86%

(1E,6E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione (869789-09-3) + bisdemethoxycurcumin (22608-12-4,24939-16-0,33171-05-0,91884-88-7) + 1-(4-hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione (149732-51-4) + bisdemethylcurcumin (60831-46-1) → 1,7-bis(3,4-dihydroxyphenyl)heptane-3,5-dione + tetrahydrodemethyldemethoxycurcumin + mono-O-demethyltetrahydrocurcumin + 1,7-bis(4-hydroxyphenyl)heptane-3,5-dione (113482-94-3)

Guidance literature:

With formic acid; triethylamine; 5 wt% palladium on calcium carbonate; In ethyl acetate; for 9h; Heating / reflux;

Reference yield: 65.0%

bisdemethoxycurcumin (22608-12-4,24939-16-0,33171-05-0,91884-88-7) → (+/-)-5-hydroxy-1,7-bis-(4'-hydroxyphenyl)-3-heptanone (41137-85-3,93604-01-4,57089-26-6,79120-39-1) + 1,7-bis(4-hydroxyphenyl)heptane-3,5-dione (113482-94-3)

Guidance literature:

With palladium on activated charcoal;

DOI:10.1007/s11418-011-0599-6

upstream raw materials:

bisdemethoxycurcumin

bis-demethoxycurcumin

4-hydroxy-benzaldehyde

acetylacetone

Downstream raw materials:

(+/-)-5-hydroxy-1,7-bis-(4'-hydroxyphenyl)-3-heptanone

C₂₇H₂₆N₂O₄

C₂₈H₂₈N₂O₅