1,3-Bis(4-methylphenyl)adamantane

Base Information

• Chemical Name: 1,3-Bis(4-methylphenyl)adamantane
• CAS No.: 65756-27-6
• Molecular Formula: C24H28
• Molecular Weight: 316.48
• Hs Code.: 2902909090
• European Community (EC) Number: 651-161-4
• DSSTox Substance ID: DTXSID60389005
• Nikkaji Number: J270.837J
• Mol file: 65756-27-6.mol

Synonyms:1,3-Di-p-tolyladamantane;1,3-bis(4-methylphenyl)adamantane;65756-27-6;1,3-Di-p-tolyl-adamantane;DTXSID60389005;AKOS016845935

Chemical Property of 1,3-Bis(4-methylphenyl)adamantane

Chemical Property:

• PSA: 0.00000
• LogP: 6.09300
• Storage Temp.: 2-8°C
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 316.219100893
• Heavy Atom Count: 24
• Complexity: 406

Purity/Quality:

97% ^*data from raw suppliers

1,3-Di-p-tolyladamantane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)C

Technology Process of 1,3-Bis(4-methylphenyl)adamantane

There total 4 articles about 1,3-Bis(4-methylphenyl)adamantane 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: 50.0%

dinitrate of 1,3-adamantanediol (53488-28-1) + toluene (108-88-3,15644-74-3,16713-13-6) → 1,3-di(p-tolyl)tricyclo<3.3.1.13,7>decane (65756-27-6)

Guidance literature:

With sulfuric acid; for 1h; Ambient temperature;

Reference yield: 34.6%

adamantane (281-23-2) + toluene (108-88-3,15644-74-3,16713-13-6) → 4-(1-adamantyl)toluene (1459-55-8) + 1,3-di(p-tolyl)tricyclo<3.3.1.13,7>decane (65756-27-6) + 1-(m-tolyl)tricyclo<3.3.1.13,7>decane (1974-86-3) + 1-(m-tolyl)-3-(p-tolyl)tricyclo<3.3.1.13,7>decane

Guidance literature:

K₁₀ clay; iron(III) chloride; for 5h; Yield given; Heating;

DOI:10.1002/hlca.19850680516

Reference yield:

3-methyl-2-oxa-1-adamantantanol (6465-33-4) + toluene (108-88-3,15644-74-3,16713-13-6) → 1,3-di(p-tolyl)tricyclo<3.3.1.13,7>decane (65756-27-6) + 1,3-di(m-tolyl)tricyclo<3.3.1.13,7>decane + 1-(m-tolyl)-3-(p-tolyl)tricyclo<3.3.1.13,7>decane

Guidance literature:

With phosphorus pentoxide; for 2h; Title compound not separated from byproducts; Heating;

DOI:10.1016/0040-4020(96)00217-7

upstream raw materials:

adamantane

toluene

dinitrate of 1,3-adamantanediol

3-methyl-2-oxa-1-adamantantanol