5,7-Dimethyl-1H-indene

Base Information

• Chemical Name: 5,7-Dimethyl-1H-indene
• CAS No.: 22484-28-2
• Molecular Formula: C11H12
• Molecular Weight: 144.216
• Hs Code.: 2902909090
• European Community (EC) Number: 245-029-1
• UNII: 3QX5KE0W6V
• DSSTox Substance ID: DTXSID30177012
• Nikkaji Number: J286.220D
• Wikidata: Q83047336
• Mol file: 22484-28-2.mol

Synonyms:5,7-Dimethyl-1H-indene;22484-28-2;5,7-dimethylindene;EINECS 245-029-1;3QX5KE0W6V;UNII-3QX5KE0W6V;DTXSID30177012;1H-INDENE, 5,7-DIMETHYL-

Chemical Property of 5,7-Dimethyl-1H-indene

Chemical Property:

• Vapor Pressure: 0.107mmHg at 25°C
• Boiling Point: 229.1°C at 760 mmHg
• Flash Point: 86.2°C
• PSA: 0.00000
• Density: 0.998g/cm³
• LogP: 2.87270
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 144.093900383
• Heavy Atom Count: 11
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2CC=CC2=C1)C

Technology Process of 5,7-Dimethyl-1H-indene

There total 9 articles about 5,7-Dimethyl-1H-indene 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:

3-methyl-5-methylidenetricyclo[4.3.0.01,3]nona-6,8-diene → 5,7-dimethyl-1H-indene (22484-28-2) + 4,6-dimethyl-1H-indene (22430-64-4)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 60 ℃; for 0.5h; Overall yield = 65 %; Overall yield = 0.13 g; Inert atmosphere;

DOI:10.1002/ejoc.201700442

Reference yield:

1-(hydroxymethyl)-1,3-dimethyl-1,2-dihydropentalene → 5,7-dimethyl-1H-indene (22484-28-2) + 4,6-dimethyl-1H-indene (22430-64-4) + 3-methyl-5-methylidenetricyclo[4.3.0.01,3]nona-6,8-diene

Guidance literature:

With methanesulfonyl chloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/ejoc.201700442

Reference yield:

2,4,6-trimethylstyrene (769-25-5) → 5,7-dimethyl-1H-indene (22484-28-2) + 4,6-dimethyl-1H-indene (22430-64-4)

Guidance literature:

With (^iPr₄PCP)Ir(C₂H₄); Sealed tube; Inert atmosphere; Heating;

DOI:10.1021/jacs.7b03433

upstream raw materials:

o-xylene

4,6-dimethyl-2,3-dihydro-1H-inden-1-one

3-(2,4-dimethylphenyl)propionic acid

(2,4-dimethyl-benzyl)-malonic acid