1-Methylpyrene

Base Information

• Chemical Name: 1-Methylpyrene
• CAS No.: 2381-21-7
• Molecular Formula: C17H12
• Molecular Weight: 216.282
• Hs Code.: 29029090
• European Community (EC) Number: 219-178-8
• NSC Number: 90776
• UNII: AB8420OXQA
• DSSTox Substance ID: DTXSID0025654
• Nikkaji Number: J51.261C
• ChEMBL ID: CHEMBL1325152
• Mol file: 2381-21-7.mol

Synonyms:1-methylpyrene

Chemical Property of 1-Methylpyrene

Chemical Property:

• Vapor Pressure: 7.38E-06mmHg at 25°C
• Melting Point: 72-74 °C(lit.)
• Refractive Index: 1.8530 (estimate)
• Boiling Point: 372 °C
• Flash Point: 178.9°C
• PSA: 0.00000
• Density: 1.213g/cm³
• LogP: 4.89240
• Solubility.: DMSO: soluble
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 216.093900383
• Heavy Atom Count: 17
• Complexity: 294

Purity/Quality:

98% ^*data from raw suppliers

1-Methylpyrene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: CC1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4
• Uses: 1-Methylpyrene is a fluorescent probe useful for micellar aggregation number.

Technology Process of 1-Methylpyrene

There total 35 articles about 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: 87.0%

methyl(pyren-1-yl)sulfane (34246-98-5) + methylmagnesium bromide (75-16-1) → 1-methylpyrene (2381-21-7)

Guidance literature:

With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](triphenylphosphine)nickel(II) dichloride; In diethyl ether; toluene; at 20 ℃; for 8h; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1039/c8cc03665a

Reference yield: 76.0%

Trimethylboroxine (823-96-1) + 1-nitropyrene (5522-43-0) → 1-methylpyrene (2381-21-7)

Guidance literature:

With dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; palladium diacetate; caesium carbonate; In toluene; at 150 ℃; for 24h; Inert atmosphere;

DOI:10.1039/d0sc01641a

Reference yield: 45.0%

1-Methyl-1,2,3,5-tetrahydropyrene → 1-methylpyrene (2381-21-7)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In toluene; for 5h;

upstream raw materials:

pyrene-1-aldehyde

2-ethyl-7'-methyl-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-naphthalene]

1-pyrenyllithium

methyl iodide

Downstream raw materials:

7-tert-butyl-1-methylpyrene

pyrene-1-aldehyde

1,3-dimethylpyrene

1-bromomethylpyrene

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