4,5-Dimethylpyrene

Base Information

• Chemical Name: 4,5-Dimethylpyrene
• CAS No.: 15679-25-1
• Molecular Formula: C₁₈H₁₄
• Molecular Weight: 230.309
• Hs Code.: 2902909090
• UNII: J5P0PZD3HY
• DSSTox Substance ID: DTXSID60496647
• Nikkaji Number: J401.925C
• Wikidata: Q27281228
• Mol file: 15679-25-1.mol

Synonyms:4,5-DIMETHYLPYRENE;Pyrene, 4,5-dimethyl-;15679-25-1;UNII-J5P0PZD3HY;J5P0PZD3HY;4,5-dimethyl-pyrene;Pyrene,4,5-dimethyl-;DTXSID60496647;AKOS015911406;Q27281228

Chemical Property of 4,5-Dimethylpyrene

Chemical Property:

• Melting Point: 210.5-211.5 °C
• Boiling Point: 406.6 °C at 760 mmHg
• Flash Point: 191.5 °C
• PSA: 0.00000
• Density: 1.183 g/cm³
• LogP: 5.20080
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 230.109550447
• Heavy Atom Count: 18
• Complexity: 288

Purity/Quality:

99% ^*data from raw suppliers

4,5-DIMETHYLPYRENE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC3=C2C4=C(C=CC=C14)C=C3)C

Technology Process of 4,5-Dimethylpyrene

There total 7 articles about 4,5-Dimethylpyrene 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: 84.0%

2,7-di-tert-butyl-4,5-dimethylpyrene (134152-99-1) → 4,5-Dimethyl-pyren (15679-25-1)

Guidance literature:

With Nafion-H (DuPont); In toluene; for 12h; Heating;

DOI:10.1021/jo00013a047

Reference yield:

2,7-Di-tert-butyl-4-methylpyrene-5-carboxaldehyde (134152-96-8) → 4,5-Dimethyl-pyren (15679-25-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / LiAlH₄-AlCl₃ / diethyl ether / 1 h / Heating

2: 84 percent / Nafion-H (DuPont) / toluene / 12 h / Heating

With lithium aluminium tetrahydride; aluminium trichloride; Nafion-H (DuPont); In diethyl ether; toluene;

DOI:10.1021/jo00013a047

Reference yield:

3-(4,5-Phenanthrylen)-2-butanol (64884-31-7) → 4,5-Dimethyl-pyren (15679-25-1)

Guidance literature:

With phosphorus pentoxide; In xylene; Heating;

DOI:10.1021/jo00400a051

upstream raw materials:

4,5-dimethyl-4,5-dihydro-pyrene-4r,5t-diol

2,7-di-tert-butyl-4,5-dimethylpyrene

3-(4,5-Phenanthrylen)-2-butanol

2,7-Di-tert-butyl-4-methylpyrene-5-carboxaldehyde

Refernces