1-(1-Adamantyl)-5-methyl-1H-tetraazole

Base Information

• Chemical Name: 1-(1-Adamantyl)-5-methyl-1H-tetraazole
• CAS No.: 24886-62-2
• Molecular Formula: C₁₂H₁₈N₄
• Molecular Weight: 218.302
• NSC Number: 140704
• UNII: RS9AZ64Q01
• DSSTox Substance ID: DTXSID80179586
• Nikkaji Number: J911.602H
• Wikidata: Q83050118
• Mol file: 24886-62-2.mol

Synonyms:1-(1-Adamantyl)-5-methyl-1H-tetraazole;24886-62-2;RS9AZ64Q01;NSC140704;NSC 140704;UNII-RS9AZ64Q01;NSC-140704;1-(1-adamantyl)-5-methyltetrazole;DTXSID80179586;1-(1-adamantyl)-5-methyl-tetrazole;1H-TETRAZOLE, 1-(1-ADAMANTYL)-5-METHYL-;1H-TETRAZOLE, 5-METHYL-1-TRICYCLO(3.3.1.13,7)DEC-1-YL-;5-METHYL-1-TRICYCLO(3.3.1.13,7)DEC-1-YL-1H-TETRAZOLE

Chemical Property of 1-(1-Adamantyl)-5-methyl-1H-tetraazole

Chemical Property:

• Vapor Pressure: 1.49E-06mmHg at 25°C
• Boiling Point: 398.3°Cat760mmHg
• Flash Point: 194.7°C
• Density: 1.54g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 218.153146591
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NN=NN1C23CC4CC(C2)CC(C4)C3

Technology Process of 1-(1-Adamantyl)-5-methyl-1H-tetraazole

There total 4 articles about 1-(1-Adamantyl)-5-methyl-1H-tetraazole 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: 36.0%

1-adamanthanol (768-95-6) + 5-methyltetrazole (4076-36-2) → 1-adamantan-1-yl-5-methyl-1H-tetrazole (24886-62-2) + 2-(adamantan-1-yl)-5-methyl-2H-tetrazole (170654-75-8)

Guidance literature:

In sulfuric acid; at 20 ℃; for 72h;

Reference yield:

2-(adamantan-1-yl)-5-methyl-2H-tetrazole (170654-75-8) → 1-adamantan-1-yl-5-methyl-1H-tetrazole (24886-62-2)

Guidance literature:

In sulfuric acid; at 20 ℃; for 48h; Yield given;

Reference yield:

1-adamanthanol (768-95-6) → 1-adamantan-1-yl-5-methyl-1H-tetrazole (24886-62-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄

2: H₂SO₄

With sulfuric acid; 1: Substitution / 2: Isomerization;

upstream raw materials:

1-adamanthanol

5-methyltetrazole

2-(adamantan-1-yl)-5-methyl-2H-tetrazole

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