1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-

Base Information

• Chemical Name: 1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-
• CAS No.: 71917-42-5
• Molecular Formula: C16H12 O5
• Molecular Weight: 284.268
• DSSTox Substance ID: DTXSID90222173
• Wikidata: Q83100346
• Mol file: 71917-42-5.mol

Synonyms:BRN 4502747;71917-42-5;1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-;2-Hydroxy-2-(2-hydroxy-4-methoxyphenyl)-1H-indene-1,3(2H)-dione;DTXSID90222173;LS-81688

Chemical Property of 1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-

Chemical Property:

• Vapor Pressure: 6.78E-13mmHg at 25°C
• Melting Point: 109 °C(Solv: acetic acid (64-19-7))
• Boiling Point: 549.2°C at 760 mmHg
• PKA: 8.82±0.40(Predicted)
• Flash Point: 210.8°C
• PSA: 83.83000
• Density: 1.468g/cm³
• LogP: 1.66760
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 284.06847348
• Heavy Atom Count: 21
• Complexity: 422

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: COC1=CC(=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)O)O

Technology Process of 1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-

There total 2 articles about 1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-hydroxy-4-methoxyphenyl)- 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: 58.0%

O-methylresorcine (150-19-6) + indan-1,2,3-trione hydrate (485-47-2) → 2-Hydroxy-2-(2-hydroxy-4-methoxy-phenyl)-indan-1,3-dione (71917-42-5)

Guidance literature:

for 0.2h;

Reference yield: 17.0%

O-methylresorcine (150-19-6) + indan-1,2,3-trione hydrate (485-47-2) → 2-Hydroxy-2-(2-hydroxy-4-methoxy-phenyl)-indan-1,3-dione (71917-42-5) + 2-Hydroxy-2-(2-hydroxy-5-methoxy-phenyl)-indan-1,3-dione (71917-43-6)

Guidance literature:

In acetic acid; for 0.25h; Heating;

DOI:10.1055/s-1984-30960

Reference yield: 33.0%

2-Hydroxy-2-(2-hydroxy-4-methoxy-phenyl)-indan-1,3-dione (71917-42-5) + p-toluidine (106-49-0,12221-03-3) → 3-(2-Hydroxy-4-methoxy-benzoyl)-2-p-tolyl-2,3-dihydro-isoindol-1-one (95646-22-3)

Guidance literature:

In acetic acid; for 12h; Heating;

DOI:10.1055/s-1984-30960

upstream raw materials:

O-methylresorcine

indan-1,2,3-trione hydrate

Downstream raw materials:

3-(2-Hydroxy-4-methoxy-benzoyl)-2-p-tolyl-2,3-dihydro-isoindol-1-one

4-methoxysalicylic acid

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