7-tert-Butyl-1-methylpyrene

Base Information

• Chemical Name: 7-tert-Butyl-1-methylpyrene
• CAS No.: 155386-57-5
• Molecular Formula: C₂₁H₂₀
• Molecular Weight: 272.39
• DSSTox Substance ID: DTXSID40165889
• Wikidata: Q83035127
• Mol file: 155386-57-5.mol

Synonyms:7-tert-Butyl-1-methylpyrene;155386-57-5;Pyrene, 7-(1,1-dimethylethyl)-1-methyl-;7-t-butyl-1-methylpyrene;DTXSID40165889;YMYRIGNUXGMIRL-UHFFFAOYSA-N;MFCD07779273;AKOS015837837;Pyrene,7-(1,1-dimethylethyl)-1-methyl-;FT-0675970

Chemical Property of 7-tert-Butyl-1-methylpyrene

Chemical Property:

• Vapor Pressure: 5.7E-07mmHg at 25°C
• Refractive Index: 1.709
• Boiling Point: 423 °C at 760 mmHg
• Flash Point: 204.5 °C
• PSA: 0.00000
• Density: 1.112 g/cm³
• LogP: 6.18990
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 272.156500638
• Heavy Atom Count: 21
• Complexity: 389

Purity/Quality:

99% ^*data from raw suppliers

7-tert-Butyl-1-methylpyrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=CC3=C4C2=C(C=C1)C=CC4=CC(=C3)C(C)(C)C

Technology Process of 7-tert-Butyl-1-methylpyrene

There total 4 articles about 7-tert-Butyl-1-methylpyrene 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: 80.0%

tertiary butyl chloride (507-20-0) + 1-methylpyrene (2381-21-7) → 7-tert-butyl-1-methylpyrene (155386-57-5)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 2h; Ambient temperature;

DOI:10.1080/00304949709355205

Reference yield:

pyrene-1-aldehyde (3029-19-4) → 7-tert-butyl-1-methylpyrene (155386-57-5)

Guidance literature:

Multi-step reaction with 3 steps

1: N₂H₄*H₂O / toluene; bis-(2-hydroxy-ethyl) ether / 1 h / Heating

2: KOH / bis-(2-hydroxy-ethyl) ether / 3 h / 180 °C

3: 80 percent / AlCl₃ / CH₂Cl₂ / 2 h / Ambient temperature

With potassium hydroxide; aluminium trichloride; hydrazine hydrate; In dichloromethane; toluene; diethylene glycol;

DOI:10.1080/00304949709355205

Reference yield:

pyrene (129-00-0) → 7-tert-butyl-1-methylpyrene (155386-57-5)

Guidance literature:

Multi-step reaction with 4 steps

1: 90 percent / TiCl₄ / CH₂Cl₂ / 3 h / Ambient temperature

2: N₂H₄*H₂O / toluene; bis-(2-hydroxy-ethyl) ether / 1 h / Heating

3: KOH / bis-(2-hydroxy-ethyl) ether / 3 h / 180 °C

4: 80 percent / AlCl₃ / CH₂Cl₂ / 2 h / Ambient temperature

With potassium hydroxide; aluminium trichloride; titanium tetrachloride; hydrazine hydrate; In dichloromethane; toluene; diethylene glycol;

DOI:10.1080/00304949709355205

upstream raw materials:

tertiary butyl chloride

1-methylpyrene

pyrene

pyrene-1-aldehyde

Downstream raw materials:

1,3-dimethylpyrene

Refernces

• 1、 -. "Light-emitting device material and light-emitting device". . . Retrieved 2009/04/24.