2,7-Dimethylpyrene

Base Information

• Chemical Name: 2,7-Dimethylpyrene
• CAS No.: 15679-24-0
• Molecular Formula: C18H14
• Molecular Weight: 230.309
• Hs Code.: 2902909090
• European Community (EC) Number: 239-762-6
• UNII: 0E465NIX94
• DSSTox Substance ID: DTXSID20166132
• Nikkaji Number: J248.731D
• Wikidata: Q27236661
• Mol file: 15679-24-0.mol

Synonyms:2,7-DIMETHYLPYRENE;15679-24-0;Pyrene, 2,7-dimethyl-;HSDB 2160;UNII-0E465NIX94;0E465NIX94;EINECS 239-762-6;DTXSID20166132;2,7-DIMETHYLPYRENE [HSDB];AS-77842;CS-0152888;D94532;3-FORMYL-1H-INDOLE-2-CARBOXYLICACIDETHYLESTER;Q27236661

Chemical Property of 2,7-Dimethylpyrene

Chemical Property:

• Vapor Pressure: 2.57E-06mmHg at 25°C
• Melting Point: 187-190 °C
• Boiling Point: 402.3°Cat760mmHg
• Flash Point: 188.9°C
• PSA: 0.00000
• Density: 1.183g/cm³
• LogP: 5.20080
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• 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: 260

Purity/Quality:

99% ^*data from raw suppliers

2,7-Dimethylpyrene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: CC1=CC2=C3C(=C1)C=CC4=CC(=CC(=C43)C=C2)C
• Uses: 2,7-Dimethylpyrene was identified in rock extracts and crude oils.

Technology Process of 2,7-Dimethylpyrene

There total 13 articles about 2,7-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: 61.0%

<23>(1,3,5)-cyclophane (27165-88-4) → 2,9-dimethylpyrene (15679-24-0) + 2,7-dimethyl-4,5,9,10-tetrahydropyrene (10549-25-4) + 2,7-dimethyl-4,5-dihydropyrene (62941-04-2)

Guidance literature:

at 620 - 650 ℃; under 12 - 15 Torr; Product distribution; or in the presence of thiophenol, other react. temp.;

Reference yield:

polystyrene → 2,9-dimethylpyrene (15679-24-0) + 1,10-trimethylenephenanthrene (4389-09-7) + [1,1';4',1'']terphenyl (92-94-4,94363-13-0) + benzo[a]fluorene (238-84-6)

Guidance literature:

With air; at 900 ℃; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics;

DOI:10.1021/es9709031

Reference yield:

C21H27S3(3+)*3BF4(1-) → 2,9-dimethylpyrene (15679-24-0)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH / dimethylsulfoxide

2: Raney-Ni / ethanol

With sodium hydride; nickel; In ethanol; dimethyl sulfoxide;

DOI:10.1021/ja00791a023

upstream raw materials:

bimesityl

1,4,5,8-naphthalenetetracarboxylic dianhydride

5,13-dimethyl[2.2]metacyclophane

<2₃>(1,3,5)-cyclophane

Refernces

• 1、 Nishiyama,K. et al.. "-". . p. 577 - 582. Retrieved 1974.
• 2、 Sato,Nishiyama. "". . p. 163. Retrieved 1972.
• 3、 Laali,Okazaki,Mitchell,Ward. "Novel annulene dications from methylated [2.2]metacyclophane monoenes and [e]-ring benzannelated dimethyldihydropyrene". . p. 5329 - 5332. Retrieved 2007/10/03.
• 4、 Mehta,Shah. "Thermally induced reorganisation of [23] (1,3,5)cyclophane". . p. 101 - 102. Retrieved 2007/10/02.