1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-

Base Information

• Chemical Name: 1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-
• CAS No.: 71917-43-6
• Molecular Formula: C16H12O5
• Molecular Weight: 284.268
• DSSTox Substance ID: DTXSID50222174
• Nikkaji Number: J2.974.382G
• Wikidata: Q83100348
• ChEMBL ID: CHEMBL1611991

Synonyms:2-Hydroxy-2-(2-hydroxy-5-methoxyphenyl)-1H-indene-1,3(2H)-dione;1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-;71917-43-6;BRN 4512528;Oprea1_260363;MLS000773620;CHEMBL1611991;DTXSID50222174;HMS1755H14;HMS2758M03;AKOS001107348;NCGC00246138-01;SMR000364329

Chemical Property of 1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-

Chemical Property:

• Vapor Pressure: 2.13E-13mmHg at 25°C
• Boiling Point: 560.5°Cat760mmHg
• Flash Point: 215.3°C
• Density: 1.468g/cm³
• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-

There total 3 articles about 1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-hydroxy-5-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: 70.0%

indan-1,2,3-trione hydrate (485-47-2) + 4-methoxy-phenol (150-76-5) → 2-Hydroxy-2-(2-hydroxy-5-methoxy-phenyl)-indan-1,3-dione (71917-43-6)

Guidance literature:

In acetic acid; for 3h; Heating;

DOI:10.1055/s-1984-30960

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:

indan-1,2,3-trione hydrate (485-47-2) + 4-methoxy-phenol (150-76-5) → 2-Hydroxy-2-(2-hydroxy-5-methoxy-phenyl)-indan-1,3-dione (71917-43-6) + 4b,9b-dihydroxy-8-methoxy-4bH-benzo[d]indeno[1,2-b]-furan-10(9bH)-one (326012-64-0)

Guidance literature:

Reflux; Acidic conditions;

DOI:10.3987/COM-15-13385

upstream raw materials:

O-methylresorcine

indan-1,2,3-trione hydrate

4-methoxy-phenol

Downstream raw materials:

3-(2-Hydroxy-5-methoxy-benzoyl)-2-p-tolyl-2,3-dihydro-isoindol-1-one

4-((2-hydroxy-5-methoxyphenyl)(hydroxyimino)methyl)-1H-benzo[d][1,2]oxazin-1-one

5-methoxysalicylic acid

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