5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone

Base Information

• Chemical Name: 5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone
• CAS No.: 79559-61-8
• Molecular Formula: C20H24 O4
• Molecular Weight: 328.408
• DSSTox Substance ID: DTXSID901179807
• Nikkaji Number: J604.817J
• Wikidata: Q27210123
• Metabolomics Workbench ID: 123564
• ChEMBL ID: CHEMBL1506910
• Mol file: 79559-61-8.mol

Synonyms:5-hydroxy-7-(4'-hydroxy-3'-methoxyphenyl)-1-phenyl-3-heptanone;HPH cpd

Chemical Property of 5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone

Chemical Property:

• Vapor Pressure: 5.05E-13mmHg at 25°C
• Refractive Index: 1.575
• Boiling Point: 552.1 °C at 760 mmHg
• Flash Point: 196.1 °C
• PSA: 66.76000
• Density: 1.16 g/cm³
• LogP: 3.28630
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 328.16745924
• Heavy Atom Count: 24
• Complexity: 365

Purity/Quality:

99% ^*data from raw suppliers

5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylheptan-3-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC=CC=C2)O)O

Technology Process of 5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone

There total 3 articles about 5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone 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:

(2-Phenethyl-[1,3]dioxolan-2-yl)-acetaldehyde (72134-60-2) → 5‐hydroxy‐7‐(4-hydroxy‐3‐methoxyphenyl)‐1‐phenylheptan3‐one (79559-61-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 61 percent / tetrahydrofuran

2: 1) H₂; 2) aq. HF / 1) Pd-C

With hydrogen fluoride; hydrogen; palladium on activated charcoal; In tetrahydrofuran;

Reference yield:

(2-Phenethyl-[1,3]dioxolan-2-yl)-acetonitrile (93559-08-1) → 5‐hydroxy‐7‐(4-hydroxy‐3‐methoxyphenyl)‐1‐phenylheptan3‐one (79559-61-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 79 percent / diisobutylaluminum hydride / diethyl ether

2: 61 percent / tetrahydrofuran

3: 1) H₂; 2) aq. HF / 1) Pd-C

With hydrogen fluoride; hydrogen; diisobutylaluminium hydride; palladium on activated charcoal; In tetrahydrofuran; diethyl ether;

Reference yield:

4-(4-Benzyloxy-3-methoxy-phenyl)-1-(2-phenethyl-[1,3]dioxolan-2-yl)-butan-2-ol (93559-17-2) → 5‐hydroxy‐7‐(4-hydroxy‐3‐methoxyphenyl)‐1‐phenylheptan3‐one (79559-61-8)

Guidance literature:

With hydrogen fluoride; hydrogen; palladium on activated charcoal; Yield given. Multistep reaction;

upstream raw materials:

4-(4-Benzyloxy-3-methoxy-phenyl)-1-(2-phenethyl-[1,3]dioxolan-2-yl)-butan-2-ol

(2-Phenethyl-[1,3]dioxolan-2-yl)-acetaldehyde

(2-Phenethyl-[1,3]dioxolan-2-yl)-acetonitrile

Refernces