Adamantane diazirine

Base Information

• Chemical Name: Adamantane diazirine
• CAS No.: 41736-95-2
• Molecular Formula: C10H14N2
• Molecular Weight: 162.235
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00961940
• Nikkaji Number: J598.094A,J997.796A
• Mol file: 41736-95-2.mol

Synonyms:adamantane diazirine;adamantane diazirine, 5'-(3H)-labeled;spiro(adamantane-2,2'-diazirine)

Chemical Property of Adamantane diazirine

Chemical Property:

• Boiling Point: 241.7°Cat760mmHg
• Flash Point: 91.6°C
• PSA: 24.39000
• Density: 1.72g/cm³
• LogP: 2.12990
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.115698455
• Heavy Atom Count: 12
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)C34N=N4

Technology Process of Adamantane diazirine

There total 2 articles about Adamantane diazirine 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:

α-cyclodextrin-aziadamanatne complex → alpha cyclodextrin (10016-20-3) + spiro[adamantane-2,3'-diazirine] (41736-95-2)

Guidance literature:

In ethanol; water; at 19.9 ℃; Equilibrium constant;

DOI:10.1021/ja982299f

Reference yield:

2-aziadamantane β-cyclodextrin complex → β‐cyclodextrin (7585-39-9) + spiro[adamantane-2,3'-diazirine] (41736-95-2)

Guidance literature:

In ethanol; water; at 19.9 ℃; Equilibrium constant;

DOI:10.1021/ja982299f

Reference yield: 100.0%

acetylacetone (123-54-6,81235-32-7) + benzylmagnesium chloride (6921-34-2) + spiro[adamantane-2,3'-diazirine] (41736-95-2) → 2-Adamantanone (700-58-3) + 1-benzyl-3,5-dimethyl-1H-pyrazole (1134-81-2)

Guidance literature:

benzylmagnesium chloride; spiro[adamantane-2,3'-diazirine]; In diethyl ether; at 0 ℃; for 2h; Inert atmosphere;

acetylacetone; With toluene-4-sulfonic acid; In ethanol; at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ol403495e

Downstream raw materials:

2-(4-methylphenyl)adamantane

2-(3-methylphenyl)adamantane

2-(o-tolyl)adamantane

C₁₈H₂₂