4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-

Base Information

• Chemical Name: 4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-
• CAS No.: 10499-26-0
• Molecular Formula: C₁₉H₂₂O₄
• Molecular Weight: 314.381
• DSSTox Substance ID: DTXSID50146902
• Wikidata: Q83011813
• Metabolomics Workbench ID: 27070
• ChEMBL ID: CHEMBL3810189
• Mol file: 10499-26-0.mol

Synonyms:Grandiflorone;4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-;10499-26-0;5-hydroxy-2,2,6,6-tetramethyl-4-(3-phenylpropanoyl)cyclohex-4-ene-1,3-dione;5-Hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-4-cyclohexene-1,3-dione;CHEMBL3810189;DTXSID50146902;CHEBI:137843;LMPK12120595

Chemical Property of 4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-

Chemical Property:

• Vapor Pressure: 4.57E-10mmHg at 25°C
• Boiling Point: 481.1°Cat760mmHg
• Flash Point: 258.9°C
• Density: 1.16g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 314.15180918
• Heavy Atom Count: 23
• Complexity: 560

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=C(C(=O)C(C1=O)(C)C)C(=O)CCC2=CC=CC=C2)O)C

Technology Process of 4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-

There total 2 articles about 4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)- 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:

3-Phenylpropionic acid (501-52-0) → grandiflorone (10499-26-0)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃, AlCl₃ / 1.) 0 deg C, 8 h, 2.) 6 deg C, 40 h

2: Na, MeOH / 3 h / Heating

With methanol; aluminium trichloride; sodium; trichlorophosphate;

DOI:10.1021/np980350n

Reference yield:

2',4',6'-trihydroxydihydrochalcone (1088-08-0) + methyl iodide (74-88-4) → grandiflorone (10499-26-0)

Guidance literature:

With methanol; sodium; for 3h; Heating;

DOI:10.1021/np980350n

upstream raw materials:

2',4',6'-trihydroxydihydrochalcone

methyl iodide

3-Phenylpropionic acid