3-hydroxy-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one

Base Information

• Chemical Name: 3-hydroxy-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
• CAS No.: 41411-04-5
• Molecular Formula: C15H20O4
• Molecular Weight: 264.3169
• DSSTox Substance ID: DTXSID20961669
• Wikidata: Q82943129
• ChEMBL ID: CHEMBL3526692

Synonyms:Pterosin L;41411-04-5;CHEMBL3526692;DTXSID20961669;3-hydroxy-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one;(2R-cis)-2,3-Dihydro-3-hydroxy-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one;1H-Inden-1-one, 2,3-dihydro-3-hydroxy-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-, (2R-cis)-;2,3-Dihydro-3-hydroxy-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one (2R-cis)-

Chemical Property of 3-hydroxy-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one

Chemical Property:

• Vapor Pressure: 7.06E-11mmHg at 25°C
• Boiling Point: 501.5°Cat760mmHg
• Flash Point: 271.2°C
• Density: 1.247g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 264.13615911
• Heavy Atom Count: 19
• Complexity: 356

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C1CCO)C)C(=O)C(C2O)(C)CO
• Isomeric SMILES: CC1=CC2=C(C(=C1CCO)C)C(=O)[C@]([C@H]2O)(C)CO

Technology Process of 3-hydroxy-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one

There total 5 articles about 3-hydroxy-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one 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: 21.0%

pterosin L triacetate (61102-13-4,61102-14-5,93602-91-6,93602-92-7) → pterosin L (41411-04-5,52611-75-3,69753-99-7,69754-00-3,93602-93-8,93602-94-9) + epi pterosin L (41411-04-5,52611-75-3,69753-99-7,69754-00-3,93602-93-8,93602-94-9)

Guidance literature:

With sulfuric acid; In 1,4-dioxane; at 50 ℃; for 15h;

DOI:10.1139/v84-334

Reference yield: 21.0%

pterosin L triacetate (61102-13-4,61102-14-5,93602-91-6,93602-92-7) → pterosin L (41411-04-5,52611-75-3,69753-99-7,69754-00-3,93602-93-8,93602-94-9) + epi pterosin L (41411-04-5,52611-75-3,69753-99-7,69754-00-3,93602-93-8,93602-94-9)

Guidance literature:

With sulfuric acid; In 1,4-dioxane; at 50 ℃; for 15h;

DOI:10.1139/v84-334

Reference yield:

2(R),3(R)-pterosin L 3-O-α-L-arabinopyranoside (98474-72-7) → pterosin L (41411-04-5)

Guidance literature:

With hesperidinase in 0.05 M citrate buffer; In various solvent(s); at 38 ℃; for 4h;

upstream raw materials:

2(R),3(R)-pterosin L 3-O-α-L-arabinopyranoside

pterosin L triacetate

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