2,5,7-Trimethyl-1-indanone

Base Information

• Chemical Name: 2,5,7-Trimethyl-1-indanone
• CAS No.: 65001-59-4
• Molecular Formula: C12H14 O
• Molecular Weight: 174.243
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID70472093
• Nikkaji Number: J1.165.135F
• Mol file: 65001-59-4.mol

Synonyms:65001-59-4;2,5,7-Trimethyl-1-indanone;2,5,7-Trimethyl-2,3-dihydro-1H-inden-1-one;2,5,7-trimethyl-2,3-dihydroinden-1-one;2,5,7-Trimethyl-indan-1-one;2,5,7-Trimethyl-l-indanone;SCHEMBL5716849;methyl-5,7-dimethylindan-1-one;DTXSID70472093;YACBQDSJEQTNRJ-UHFFFAOYSA-N;AKOS006288371;AC-18671;N14242;A834940;J-507271

Chemical Property of 2,5,7-Trimethyl-1-indanone

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.544
• Boiling Point: 294℃
• Flash Point: 124℃
• PSA: 17.07000
• Density: 1.039
• LogP: 2.67830
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 174.104465066
• Heavy Atom Count: 13
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

2,5,7-Trimethyl-2,3-dihydro-1H-inden-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=CC(=CC(=C2C1=O)C)C

Technology Process of 2,5,7-Trimethyl-1-indanone

There total 15 articles about 2,5,7-Trimethyl-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: 93.0%

→ 2,5,7-trimethyl-indan-1-one (65001-59-4)

Guidance literature:

Reference yield: 87.0%

5-(3,5-dimethylbenzyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione (848610-64-0) → 2,5,7-trimethyl-indan-1-one (65001-59-4)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In nitromethane; at 100 ℃; for 0.5h;

DOI:10.1021/jo0483724

Reference yield: 86.0%

C12H14O → 2,5,7-trimethyl-indan-1-one (65001-59-4)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; 1,3-bis-(diphenylphosphino)propane; In 1,4-dioxane; at 150 ℃; for 48h; Inert atmosphere; Sealed tube;

DOI:10.1039/c5sc01875g

upstream raw materials:

2-bromo-1-(2,4-dimethylphenyl)-2-methylpropan-1-one

β-(3,5-dimethylphenyl)-α-methylpropionic acid

methyl methacrylate

m-xylene

Downstream raw materials:

1-indene

2,4,6-trimethyl-indene