3-Methyl-6-phenyl-1-indanone

Base Information

• Chemical Name: 3-Methyl-6-phenyl-1-indanone
• CAS No.: 71823-53-5
• Molecular Formula: C16H14 O
• Molecular Weight: 222.28
• DSSTox Substance ID: DTXSID50992522
• Nikkaji Number: J62.630I
• ChEMBL ID: CHEMBL3251918
• Mol file: 71823-53-5.mol

Synonyms:3-Methyl-6-phenyl-1-indanone;71823-53-5;BRN 2110597;1-Indanone, 3-methyl-6-phenyl-;3-methyl-6-phenyl-2,3-dihydro-1H-inden-1-one;CHEMBL3251918;DTXSID50992522;AKOS013134196;LS-81333

Chemical Property of 3-Methyl-6-phenyl-1-indanone

Chemical Property:

• Vapor Pressure: 1.24E-05mmHg at 25°C
• Boiling Point: 368.8°C at 760 mmHg
• Flash Point: 161.2°C
• Density: 1.109±0.06 g/cm3 (20℃ 760 Torr)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 222.104465066
• Heavy Atom Count: 17
• Complexity: 290

Purity/Quality:

95%, 99% ^*data from raw suppliers

3-METHYL-6-PHENYL-1-INDANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)C2=C1C=CC(=C2)C3=CC=CC=C3

Technology Process of 3-Methyl-6-phenyl-1-indanone

There total 3 articles about 3-Methyl-6-phenyl-1-indanone 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:

4-(prop-1-en-2-yl)-[1,1'-biphenyl]-3-carbaldehyde → 3-methyl-6-phenyl-2,3-dihydro-1H-inden-1-one (71823-53-5)

Guidance literature:

With silver hexafluoroantimonate; chloro(1,5-cyclooctadiene)rhodium(I) dimer; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,4-dioxane; at 100 ℃; for 16h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.6b02825

Reference yield:

4-bromo-[1,1'-biphenyl]-3-carbaldehyde (1237107-66-2) → 3-methyl-6-phenyl-2,3-dihydro-1H-inden-1-one (71823-53-5)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium diacetate; XPhos; caesium carbonate / tetrahydrofuran; water / Inert atmosphere; Reflux

2: chloro(1,5-cyclooctadiene)rhodium(I) dimer; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; silver hexafluoroantimonate / 1,4-dioxane / 16 h / 100 °C / Inert atmosphere; Sealed tube

With silver hexafluoroantimonate; chloro(1,5-cyclooctadiene)rhodium(I) dimer; palladium diacetate; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; XPhos; In tetrahydrofuran; 1,4-dioxane; water; 1: |Suzuki Coupling;

DOI:10.1021/acs.orglett.6b02825

Reference yield:

β-Methyl<1,1'-biphenyl>-4-propansaeure (7320-82-3,71845-02-8,71845-05-1) → 3-methyl-6-phenyl-2,3-dihydro-1H-inden-1-one (71823-53-5)

Guidance literature:

With PPA;

DOI:10.1021/jm00198a007

upstream raw materials:

β-Methyl<1,1'-biphenyl>-4-propansaeure

4-bromo-[1,1'-biphenyl]-3-carbaldehyde

Downstream raw materials:

1-Methyl-5-phenyl-indan

Refernces