1,3-Indandione, 2-(3,5-dimethyl-p-hydroxyphenyl)-2-hydroxy-

Base Information

• Chemical Name: 1,3-Indandione, 2-(3,5-dimethyl-p-hydroxyphenyl)-2-hydroxy-
• CAS No.: 71313-20-7
• Molecular Formula: C17H14 O4
• Molecular Weight: 282.29
• DSSTox Substance ID: DTXSID90221469
• Nikkaji Number: J1.141.666G
• Wikidata: Q83099242
• Mol file: 71313-20-7.mol

Synonyms:BRN 2288384;1,3-Indandione, 2-(3,5-dimethyl-p-hydroxyphenyl)-2-hydroxy-;71313-20-7;2-(3,5-Dimethyl-p-hydroxyphenyl)-2-hydroxy-1,3-indandione;SCHEMBL15642161;DTXSID90221469;WWCSFRRQCULQOK-UHFFFAOYSA-N;LS-81178;2-Hydroxy-2-(4-hydroxy-3,5-dimethyl-phenyl)-indan-1,3-dione;2-Hydroxy-2-(4-hydroxy-3,5-dimethylphenyl)indan-1,3-dione;1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(4-hydroxy-3,5-dimethylphenyl)-

Chemical Property of 1,3-Indandione, 2-(3,5-dimethyl-p-hydroxyphenyl)-2-hydroxy-

Chemical Property:

• Vapor Pressure: 1.59E-11mmHg at 25°C
• Boiling Point: 517.2°C at 760 mmHg
• Flash Point: 280.7°C
• PSA: 74.60000
• Density: 1.396g/cm³
• LogP: 2.27580
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 282.08920892
• Heavy Atom Count: 21
• Complexity: 422

Purity/Quality:

99% ^*data from raw suppliers

2-(3,5-DIMETHYL-PARA-HYDROXYPHENYL)-2-HYDROXY-1,3-INDANDIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1O)C)C2(C(=O)C3=CC=CC=C3C2=O)O

Technology Process of 1,3-Indandione, 2-(3,5-dimethyl-p-hydroxyphenyl)-2-hydroxy-

There total 3 articles about 1,3-Indandione, 2-(3,5-dimethyl-p-hydroxyphenyl)-2-hydroxy- 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: 45.0%

2.6-dimethylphenol (576-26-1,25134-01-4) + indan-1,2,3-trione hydrate (485-47-2) → (dimethyl-3,5 oxo-4 cyclohexadiene-2,5 ylidene)-2 indanedione-1,3 (36749-54-9) + 2-hydroxy-2-(4-hydroxy-3,5-dimethyl-phenyl)-indan-1,3-dione (71313-20-7) + di(hydroxy-4 dimethyl-3,5 phenyl)-2,2 indanedione-1,3 (124312-98-7)

Guidance literature:

With acetic acid; for 8h; Heating;

DOI:10.1016/0223-5234(89)90108-6

Reference yield: 44.0%

2.6-dimethylphenol (576-26-1,25134-01-4) + indan-1,2,3-trione hydrate (485-47-2) → 2-hydroxy-2-(4-hydroxy-3,5-dimethyl-phenyl)-indan-1,3-dione (71313-20-7)

Guidance literature:

In acetic acid; at 80 - 90 ℃; for 5h;

DOI:10.1080/00397919908085958

Reference yield:

→ 2-hydroxy-2-(4-hydroxy-3,5-dimethyl-phenyl)-indan-1,3-dione (71313-20-7)

Guidance literature:

Ninhydrin, 2,6-Dimethylphenol;

upstream raw materials:

2.6-dimethylphenol

indan-1,2,3-trione hydrate

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