4-Methyl-1H-indene

Base Information

• Chemical Name: 4-Methyl-1H-indene
• CAS No.: 7344-34-5
• Molecular Formula: C10H10
• Molecular Weight: 130.189
• European Community (EC) Number: 230-863-0
• UNII: 5EE9AUS4FL
• DSSTox Substance ID: DTXSID30223664
• Nikkaji Number: J212.342H
• Wikidata: Q83102134
• Mol file: 7344-34-5.mol

Synonyms:4-Methyl-1H-indene;7344-34-5;1H-Indene, 4-methyl-;4-methylindene;Indene, 4-methyl-;EINECS 230-863-0;5EE9AUS4FL;DTXSID30223664;AKOS006286742;EN300-1613361

Chemical Property of 4-Methyl-1H-indene

Chemical Property:

• Vapor Pressure: 0.264mmHg at 25°C
• Melting Point: 80°C (estimate)
• Refractive Index: 1.5680
• Boiling Point: 211.5°Cat760mmHg
• Flash Point: 74.7°C
• PSA: 0.00000
• Density: 1.016g/cm³
• LogP: 2.56430
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 130.078250319
• Heavy Atom Count: 10
• Complexity: 146

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C2C=CCC2=CC=C1

Technology Process of 4-Methyl-1H-indene

There total 13 articles about 4-Methyl-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: 90.0%

1-allyl-3-methyl-2-vinylbenzene → 4-methyl-1H-indene (7344-34-5)

Guidance literature:

With Hoveyda-Grubbs catalyst second generation; In dichloromethane; at 40 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.joc.7b00200

Reference yield: 75.0%

7-methylindan-1-ol (74384-55-7) → 4-methyl-1H-indene (7344-34-5)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; at 80 ℃; for 2h; Inert atmosphere;

DOI:10.1002/anie.201105778

Reference yield:

cyclopent-2-enone (930-30-3) → 4-methyl-1H-indene (7344-34-5)

Guidance literature:

Multi-step reaction with 4 steps

1: Pd/C / 200 °C

2: LiAlH₄ / diethyl ether / 0.17 h / 20 °C

3: 8.56 g / p-TsOH*H₂O / benzene / 0.5 h / 20 - 100 °C

With lithium aluminium tetrahydride; toluene-4-sulfonic acid; palladium on activated charcoal; In diethyl ether; benzene; 1: Diels-Alder reaction;

DOI:10.1021/jo049381f

upstream raw materials:

7-methylindan-1-ol

cyclopent-2-enone

1-methylbuta-1,3-diene

7-methyl-1-indanone

Downstream raw materials:

8-methylisoquinoline

(1S,2R)-(-)-cis-1-[(2R)-4-hydroxymethyl-2-phenyl-1,2,5,6-tetrahydropyridin-1-yl]-7-methylindan-2-ol

5-methyl-4-phenyl-1,9,9a,10a-tetrahydro-4H,4bH-10-oxa-4a-aza-indeno[1,2-a]indene-2-carboxylic acid ethyl ester

1-{4-hydroxymethyl-6-[1-(toluene-4-sulfonyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl}-7-methyl-indan-2-ol