1,3-Diphenyladamantane

Base Information

• Chemical Name: 1,3-Diphenyladamantane
• CAS No.: 40189-21-7
• Molecular Formula: C22H24
• Molecular Weight: 288.433
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID90397658
• Nikkaji Number: J331.338G
• Wikidata: Q82199175
• Mol file: 40189-21-7.mol

Synonyms:1,3-diphenyladamantane;40189-21-7;1,3-diphenyl adamantane;1,3-diphenyladamantane ?;DTXSID90397658;FLWCFYNNDXUQAK-UHFFFAOYSA-N;AKOS016012140

Chemical Property of 1,3-Diphenyladamantane

Chemical Property:

• Boiling Point: 410.9±15.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.174 g/cm3
• LogP: 5.47620
• Storage Temp.: 2-8°C
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 288.187800766
• Heavy Atom Count: 22
• Complexity: 360

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-Diphenyladamantane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3(CC1CC(C2)(C3)C4=CC=CC=C4)C5=CC=CC=C5

Technology Process of 1,3-Diphenyladamantane

There total 9 articles about 1,3-Diphenyladamantane 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: 90.0%

1-Adamantyl bromide (768-90-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1-phenyladamantane (780-68-7) + 1,3-Diphenyladamantane (40189-21-7)

Guidance literature:

With molybdenum hexacarbonyl; at 140 ℃; for 2h; Sealed tube;

DOI:10.1134/S1070428015110056

Reference yield: 68.0%

1,3-dichloroadamantane (16104-50-0) + phenylmagnesium bromide (100-58-3) → 1,3-Diphenyladamantane (40189-21-7)

Guidance literature:

With iron(III) chloride; N,N′-bis(2,6-diisopropylphenyl)imidazol-2-ylidene hydrochloride; In tetrahydrofuran; at 0 - 40 ℃; for 1.66667h;

DOI:10.1021/ol2031729

Reference yield: 55.0%

dinitrate of 1,3-adamantanediol (53488-28-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1,3-Diphenyladamantane (40189-21-7)

Guidance literature:

With sulfuric acid; for 1h; Ambient temperature;

upstream raw materials:

adamantane

benzene

7-methylenebicyclo[3.3.1]nonan-3-one

dinitrate of 1,3-adamantanediol

Downstream raw materials:

1,3-bis(4-bromophenyl)tricyclo<3.3.1.1^3,7>decane

1-[2-methoxy-4-methyl-5-(4-(3-(4-(2-(1,5-dimethoxy-10-phenylanthracen-9-yl)ethynyl)phenyl)adamantanyl)phenyl)thiophen-3-yl]-2-(2-methoxy-4-methyl-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopentene

1-[2-methoxy-4-methyl-5-(4-(3-(4-iodophenyl)adamantanyl)phenyl)thiophen-3-yl]-2-(2-methoxy-4-methyl-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopentene

1-[2,4-dimethyl-5-(4-(3-(4-iodophenyl)adamantanyl)phenyl)thiophen-3-yl]-2-(2-methoxy-4-methyl-5-phenylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopentene