4,5,7-Trimethylindan

Base Information

• Chemical Name: 4,5,7-Trimethylindan
• CAS No.: 6682-06-0
• Molecular Formula: C₁₂H₁₆
• Molecular Weight: 160.259
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID60216928
• Nikkaji Number: J112.950C
• Wikidata: Q83093245
• Mol file: 6682-06-0.mol

Synonyms:4,5,7-TRIMETHYLINDAN;6682-06-0;Indan, 4,5,7-trimethyl-;1H-Indene, 2,3-dihydro-4,5,7-trimethyl-;4,5,7-trimethyl-2,3-dihydro-1H-indene;4,6,7-trimethyl-indane;4,5,7-Trimethylindane #;DTXSID60216928;NFLKDIOSDXSKTG-UHFFFAOYSA-N

Chemical Property of 4,5,7-Trimethylindan

Chemical Property:

• Vapor Pressure: 0.0371mmHg at 25°C
• Boiling Point: 249°C at 760 mmHg
• Flash Point: 99.3°C
• PSA: 0.00000
• Density: 0.957g/cm³
• LogP: 3.10050
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 160.125200510
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C2CCCC2=C1C)C

Technology Process of 4,5,7-Trimethylindan

There total 2 articles about 4,5,7-Trimethylindan 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: 37.0%

2,7-nonadiyne (31699-35-1) + allyl tosylate (4873-09-0) → 4,5,7-trimethylindan (6682-06-0)

Guidance literature:

allyl tosylate; With triphenyl phosphite; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In 1,2-dichloro-ethane; at 20 ℃; for 0.5h;

2,7-nonadiyne; In 1,2-dichloro-ethane; at 80 ℃; for 12h;

DOI:10.1021/jo026857r

Reference yield:

(6,7-Dimethyl-indanyl-4)-methanol-O-tosylat (16440-69-0) → 4,5,7-trimethylindan (6682-06-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;

upstream raw materials:

(6,7-Dimethyl-indanyl-4)-methanol-O-tosylat

2,7-nonadiyne

allyl tosylate