2-Hydroxy-2-(2-hydroxy-3-methylphenyl)-1H-indene-1,3(2H)-dione

Base Information

• Chemical Name: 2-Hydroxy-2-(2-hydroxy-3-methylphenyl)-1H-indene-1,3(2H)-dione
• CAS No.: 71321-25-0
• Molecular Formula: C16H12O4
• Molecular Weight: 268.269
• DSSTox Substance ID: DTXSID10991652
• Wikidata: Q82981548

Synonyms:2-Hydroxy-2-(2-hydroxy-3-methylphenyl)-1H-indene-1,3(2H)-dione;71321-25-0;BRN 2289728;Maybridge1_007440;Oprea1_058134;HMS562K04;DTXSID10991652;1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-hydroxy-3-methylphenyl)-;AKOS001016872;CCG-246172;Z56791569

Chemical Property of 2-Hydroxy-2-(2-hydroxy-3-methylphenyl)-1H-indene-1,3(2H)-dione

Chemical Property:

• Vapor Pressure: 4.48E-11mmHg at 25°C
• Boiling Point: 506.4°Cat760mmHg
• Flash Point: 274.1°C
• Density: 1.443g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 268.07355886
• Heavy Atom Count: 20
• Complexity: 406

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C2(C(=O)C3=CC=CC=C3C2=O)O)O

Technology Process of 2-Hydroxy-2-(2-hydroxy-3-methylphenyl)-1H-indene-1,3(2H)-dione

There total 3 articles about 2-Hydroxy-2-(2-hydroxy-3-methylphenyl)-1H-indene-1,3(2H)-dione 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: 78.0%

indan-1,2,3-trione hydrate (485-47-2) + ortho-cresol (95-48-7,77504-84-8) → 2-Hydroxy-2-(2-hydroxy-3-methyl-phenyl)-indan-1,3-dione (71321-25-0)

Guidance literature:

In acetic acid; for 2h; Heating;

DOI:10.1055/s-1984-30960

Reference yield:

indan-1,2,3-trione hydrate (485-47-2) + ortho-cresol (95-48-7,77504-84-8) → 2-Hydroxy-2-(2-hydroxy-3-methyl-phenyl)-indan-1,3-dione (71321-25-0) + 4b,9b-dihydroxy-6-methyl-4b,9b-dihydro-5-oxa-indeno[2,1-a]inden-10-one (326012-53-7)

Guidance literature:

Reflux; Acidic conditions;

DOI:10.3987/COM-15-13385

Reference yield:

→ 2-Hydroxy-2-(2-hydroxy-3-methyl-phenyl)-indan-1,3-dione (71321-25-0)

Guidance literature:

Ninhydrin, 2-Methylphenol;

upstream raw materials:

indan-1,2,3-trione hydrate

ortho-cresol

Downstream raw materials:

3-methylsalicylic acid

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