2-Hydroxy-2-(2-hydroxy-p-tolyl)-1,3-indandione

Base Information

• Chemical Name: 2-Hydroxy-2-(2-hydroxy-p-tolyl)-1,3-indandione
• CAS No.: 71321-26-1
• Molecular Formula: C16H12 O4
• Molecular Weight: 268.269
• DSSTox Substance ID: DTXSID70991653
• Nikkaji Number: J1.141.662D
• Wikidata: Q82981550
• Mol file: 71321-26-1.mol

Synonyms:2-Hydroxy-2-(2-hydroxy-p-tolyl)-1,3-indandione;BRN 2287774;71321-26-1;1,3-Indandione, 2-hydroxy-2-(2-hydroxy-p-tolyl)-;DTXSID70991653;LS-81196;2-Hydroxy-2-(2-hydroxy-4-methylphenyl)indan-1,3-dione;2-Hydroxy-2-(2-hydroxy-4-methylphenyl)-1H-indene-1,3(2H)-dione

Chemical Property of 2-Hydroxy-2-(2-hydroxy-p-tolyl)-1,3-indandione

Chemical Property:

• Vapor Pressure: 1.1E-11mmHg at 25°C
• Boiling Point: 521.1°C at 760 mmHg
• Flash Point: 283°C
• PSA: 74.60000
• Density: 1.443g/cm³
• LogP: 1.96740
• 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:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydroxy-2-(2-hydroxy-p-tolyl)-1,3-indandione

There total 2 articles about 2-Hydroxy-2-(2-hydroxy-p-tolyl)-1,3-indandione 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: 90.0%

indan-1,2,3-trione hydrate (485-47-2) + 3-methyl-phenol (108-39-4) → 2-(2-hydroxy-4-methylphenyl)-2-hydroxy-1,3-indanedione (71321-26-1)

Guidance literature:

In acetic acid; at 80 - 90 ℃; for 2h;

DOI:10.1080/00397919908085958

Reference yield:

→ 2-(2-hydroxy-4-methylphenyl)-2-hydroxy-1,3-indanedione (71321-26-1)

Guidance literature:

Ninhydrin, 3-Methylphenol;

Reference yield: 69.0%

2-(2-hydroxy-4-methylphenyl)-2-hydroxy-1,3-indanedione (71321-26-1) + p-toluidine (106-49-0,12221-03-3) → 3-(2-Hydroxy-4-methyl-benzoyl)-2-p-tolyl-2,3-dihydro-isoindol-1-one (95646-16-5)

Guidance literature:

In acetic acid; for 12h; Heating;

DOI:10.1055/s-1984-30960

upstream raw materials:

indan-1,2,3-trione hydrate

3-methyl-phenol

Downstream raw materials:

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

2-hydroxy-p-toluic acid

Refernces

• 1、 Song, Hyun Nam,Seong, Mi Ra,Lee, Hong Jung,Kim, Jae Nyoung. "Formation of benzo[b]indeno [2,1-d]furanone ring system during alkylation of 2-(2-hydroxyaryl)2-hydroxy-1,3-indanedione derivatives". . p. 2759 - 2767. Retrieved 2007/10/03.