1,3-Indandione, 2-methyl-2-phenyl-

Base Information

• Chemical Name: 1,3-Indandione, 2-methyl-2-phenyl-
• CAS No.: 2136-69-8
• Molecular Formula: C16H12O2
• Molecular Weight: 236.27
• European Community (EC) Number: 651-773-1
• DSSTox Substance ID: DTXSID00175621
• Nikkaji Number: J840.332E
• Wikidata: Q83045966
• Mol file: 2136-69-8.mol

Synonyms:1,3-Indandione, 2-methyl-2-phenyl-;2-methyl-2-phenyl-1H-indene-1,3(2H)-dione;2136-69-8;2-Methyl-2-phenyl-1,3-indandione;2-methyl-2-phenylindene-1,3-dione;1H-Indene-1,3(2H)-dione, 2-methyl-2-phenyl-;Oprea1_606798;DTXSID00175621;Cl-2001;2-Methyl-2-phenylindan-1,3-dione;AKOS024284905;LS-81238;AH-357/03395061

Chemical Property of 1,3-Indandione, 2-methyl-2-phenyl-

Chemical Property:

• Vapor Pressure: 9.81E-07mmHg at 25°C
• Boiling Point: 403.9°Cat760mmHg
• Flash Point: 151.3°C
• Density: 1.217g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 236.083729621
• Heavy Atom Count: 18
• Complexity: 341

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3

Technology Process of 1,3-Indandione, 2-methyl-2-phenyl-

There total 11 articles about 1,3-Indandione, 2-methyl-2-phenyl- 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: 83.0%

phenindione (83-12-5) + methyl iodide (74-88-4) → 2-methyl-2-phenyl-indan-1,3-dione (2136-69-8)

Guidance literature:

phenindione; With Aliquat 336; caesium carbonate; In acetonitrile; for 0.166667h; Inert atmosphere;

methyl iodide; In acetonitrile; at 80 ℃; for 3.08333h; Inert atmosphere; Reflux;

DOI:10.1021/jacs.7b04412

Reference yield: 29.0%

2-methyl-indan-1,3-dione (876-83-5) + cyclopent-1-en-1-yl(phenyl)iodonium tetrafluoroborate → 2-methyl-2-phenyl-indan-1,3-dione (2136-69-8) + 2-(1-cyclopentenyl)-2-methyl-1,3-indandione

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; for 44h; Ambient temperature;

DOI:10.1021/jo962007y

Reference yield: 10.0%

2-methyl-indan-1,3-dione (876-83-5) + 4-tert-butyl-1-cyclohexenyl(phenyl)(tetrafluoroborato)-λ3-iodane → 2-methyl-2-phenyl-indan-1,3-dione (2136-69-8) + 2-(4-tert-butyl-1-cyclohexenyl)-2-methyl-1,3-indandione

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1021/jo962007y

upstream raw materials:

2-phenyl-indan-1,3-dione; sodium-salt

methyl iodide

phenindione

2-methyl-indan-1,3-dione

Downstream raw materials:

3-oxo-1-(1-phenyl-ethyl)-isoindoline-1-carboxylic acid amide

2-Methyl-2-phenyl-indandion-(1,3)-monoguanylhydrazon

2-methyl-2-phenylindan

2-Methyl-2-phenyl-1,3-indandiol

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