1,6-Dimethylindan

Base Information

• Chemical Name: 1,6-Dimethylindan
• CAS No.: 17059-48-2
• Molecular Formula: C₁₁H₁₄
• Molecular Weight: 146.232
• Hs Code.: 2902909090
• UNII: J8P8CJ7K2C
• DSSTox Substance ID: DTXSID90937790
• Nikkaji Number: J101.408K
• Mol file: 17059-48-2.mol

Synonyms:1,6-DIMETHYLINDAN;1,6-dimethyl-2,3-dihydro-1H-indene;17059-48-2;1,6-Dimethylindane;1H-Indene, 2,3-dihydro-1,6-dimethyl-;1H-INDENE,2,3-DIHYDRO-1,6-DIM;1,6-dime-thylindane;1,6-Dimethylindane #;J8P8CJ7K2C;INDAN, 1,6-DIMETHYL-;DTXSID90937790;UVRVNMDNGVIBGM-UHFFFAOYSA-N;2,3-dihydro-1,6-dimethyl-1h-indene

Chemical Property of 1,6-Dimethylindan

Chemical Property:

• Vapor Pressure: 0.239mmHg at 25°C
• Boiling Point: 213.5°Cat760mmHg
• Flash Point: 79.8°C
• PSA: 0.00000
• Density: 0.944g/cm³
• LogP: 3.04470
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 146.109550447
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2=C1C=C(C=C2)C

Technology Process of 1,6-Dimethylindan

There total 8 articles about 1,6-Dimethylindan 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%

6-methyl-1-methylene-2,3-dihydro-1H-indene (145625-32-7) → 1,6-dimethylindan (17059-48-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 0.5h; under 2327.2 Torr; Ambient temperature;

DOI:10.1016/0040-4020(94)00887-Z

Reference yield:

3,5-dimethyl-1H-indene (52310-59-5) → 1,6-dimethylindan (17059-48-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetic acid; for 5h; under 2585.7 Torr; Yield given; Ambient temperature;

DOI:10.1021/jo00359a005

Reference yield:

2,3-dihydro-6-methyl-1H-inden-1-one (24623-20-9) → 1,6-dimethylindan (17059-48-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / 60percent NaH, DMSO / 0.25 h / Ambient temperature

2: 90 percent / H₂ / 10percent Pd-C / methanol / 0.5 h / 2327.2 Torr / Ambient temperature

With hydrogen; sodium hydride; dimethyl sulfoxide; palladium on activated charcoal; In methanol;

DOI:10.1016/0040-4020(94)00887-Z

upstream raw materials:

crotonyl chloride

toluene

6-methyl-1-methylene-2,3-dihydro-1H-indene

3,5-dimethyl-1H-indene

Refernces

• 1、 Entel et al.. "-". . p. 1303. Retrieved 1953.
• 2、 Nolan,Ratcliffe,Rees. "The synthesis of 1,6-disubstituted indanes which mimic the orientation of amino acid side-chains in a protein alpha-helix motif.". . p. 6879 - 6882. Retrieved 2007/10/02.