2,7-Dimethyl-4,5,9,10-tetrahydropyrene

Base Information

• Chemical Name: 2,7-Dimethyl-4,5,9,10-tetrahydropyrene
• CAS No.: 10549-25-4
• Molecular Formula: C18H18
• Molecular Weight: 234.341
• DSSTox Substance ID: DTXSID10372861
• Wikidata: Q82160798

Synonyms:2,7-dimethyl-4,5,9,10-tetrahydropyrene;10549-25-4;Pyrene, 4,5,9,10-tetrahydro-2,7-dimethyl-;DTXSID10372861;AKOS004907089

Chemical Property of 2,7-Dimethyl-4,5,9,10-tetrahydropyrene

Chemical Property:

• PSA: 0.00000
• LogP: 4.16760
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 234.140850574
• Heavy Atom Count: 18
• Complexity: 260

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C3C(=C1)CCC4=CC(=CC(=C43)CC2)C

Technology Process of 2,7-Dimethyl-4,5,9,10-tetrahydropyrene

There total 4 articles about 2,7-Dimethyl-4,5,9,10-tetrahydropyrene 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: 45.0%

<23>(1,3,5)-cyclophane (27165-88-4) + thiophenol (108-98-5) → 5,13-dimethyl[2.2]metacyclophane (42053-19-0,107299-36-5,10549-23-2) + 2,7-dimethyl-4,5,9,10-tetrahydropyrene (10549-25-4) + 2,7-dimethyl-4,5-dihydropyrene (62941-04-2) + 13-Methyl-6-phenylsulfanylmethyl-tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene (127699-77-8)

Guidance literature:

at 250 ℃; for 0.6h; Further byproducts given;

Reference yield: 5.0%

2,11,20-Trithia<3.3.3><1.3.5>cyclophan-trisulfon (27341-04-4) → <23>(1,3,5)-cyclophane (27165-88-4) + 5,13-dimethyl[2.2]metacyclophane (42053-19-0,107299-36-5,10549-23-2) + 2,7-dimethyl-4,5,9,10-tetrahydropyrene (10549-25-4) + 2,7-dimethyl-4,5-dihydropyrene (62941-04-2)

Guidance literature:

at 580 - 610 ℃; under 0.1 Torr; Further byproducts given;

upstream raw materials:

2,11,20-Trithia<3.3.3><1.3.5>cyclophan-trisulfon

<2₃>(1,3,5)-cyclophane

thiophenol

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