1,4-Dibromoadamantane

Base Information

• Chemical Name: 1,4-Dibromoadamantane
• CAS No.: 39646-72-5
• Molecular Formula: C₁₀H₁₄Br₂
• Molecular Weight: 294.029
• DSSTox Substance ID: DTXSID70404016
• Mol file: 39646-72-5.mol

Synonyms:1,4-dibromoadamantane;39646-72-5;52918-86-2;Tricyclo[3.3.1.13,7]decane, 1,4-dibromo-;SCHEMBL1074040;3-Hydroxy-5-iodo(1H)indazole;DTXSID70404016;AKOS015917853;FT-0713336;A824672

Chemical Property of 1,4-Dibromoadamantane

Chemical Property:

• Boiling Point: 295.8±15.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.804±0.06 g/cm3(Predicted)
• LogP: 3.72350
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 293.94418
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

98%Min ^*data from raw suppliers

1,4-DIBROMOADAMANTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2CC3CC(C2)(CC1C3Br)Br

Technology Process of 1,4-Dibromoadamantane

There total 2 articles about 1,4-Dibromoadamantane 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:

adamantane (281-23-2) → 1,3-dibromoadamantane (876-53-9) + 1,4-dibromoadamantane (52918-86-2,39646-72-5) + 1,2-dibromoadamantane (33803-54-2)

Guidance literature:

With Wilkinson's catalyst; 1,1-dibromomethane; at 200 ℃; for 40h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1007/BF00959743

Reference yield:

2,2-dibromoadamantane (7314-84-3) → (Z)-1,4-dibromoadamatane (39646-72-5)

Guidance literature:

With aluminum tri-bromide; In carbon disulfide;

DOI:10.1246/bcsj.45.2217

upstream raw materials:

adamantane

2,2-dibromoadamantane

Refernces

• 1、 Khusnutdinov, R. I.,Shchadneva, N. A.,Dzhemilev, U. M.. "NEW EFFICIENT METHOD FOR THE SYNTHESIS OF HALOADAMANTANES INVOLVING RHODIUM COMPLEXES". . p. 2528 - 2529. Retrieved 2007/10/02.