1-methyl-3,5-diaza-1-azonia-7-phosphatricyclo[3.3.1.1~3,7~]decane

Base Information

• Chemical Name: 1-methyl-3,5-diaza-1-azonia-7-phosphatricyclo[3.3.1.1~3,7~]decane
• CAS No.: 53597-71-0
• Molecular Formula: C₇H₁₅N₃P*I
• Molecular Weight: 299.094
• NSC Number: 304711
• Mol file: 53597-71-0.mol

Synonyms:NSC304711;NSC-304711;SCHEMBL11883948

Chemical Property of 1-methyl-3,5-diaza-1-azonia-7-phosphatricyclo[3.3.1.1~3,7~]decane

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 299.00483
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]12CN3CN(C1)CP(C3)C2.[I-]

Technology Process of 1-methyl-3,5-diaza-1-azonia-7-phosphatricyclo[3.3.1.1~3,7~]decane

There total 1 articles about 1-methyl-3,5-diaza-1-azonia-7-phosphatricyclo[3.3.1.1~3,7~]decane 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: 95.0%

(1,3,5-triaza-7-phosphaadamantane) (53597-69-6) + methyl iodide (74-88-4) → 1-methyl-1-azonia-3,5-diaza-7-phosphatricyclo[3.3.1.13,7]decane iodide (53597-71-0)

Guidance literature:

In neat (no solvent); at 20 ℃; for 4h; Milling;

DOI:10.1080/10426507.2018.1539993

Reference yield: 70.0%

chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II) (32993-05-8) + 1-methyl-1-azonia-3,5-diaza-7-phosphatricyclo[3.3.1.13,7]decane iodide (53597-71-0) → [RuCpI(N-methyl-1,3,5-triaza-7-phosphaadamantane)(PPh3)]Cl (877864-77-2)

Guidance literature:

In isopropyl alcohol; under N2 atm. Ru complex was added to soln. N-methyl-1,3,5-triaza-7-phosphaadamantane-I in isopropanol and stirred under reflux for 6 h; ppt. was filtered while hot, dissolved in CHCl3, Et2O was added, ppt. was filtered off, washed with Et2O, and vac.-dried; elem. anal.;

DOI:10.1021/ic051053q

Reference yield: 60.0%

C31H33ClO6Ru + silver trifluoromethanesulfonate (2923-28-6) + 1-methyl-1-azonia-3,5-diaza-7-phosphatricyclo[3.3.1.13,7]decane iodide (53597-71-0) → C38H48N3O6PRu(2+)*CF3O3S(1-)*I(1-)

Guidance literature:

C₃₁H₃₃ClO₆Ru; silver trifluoromethanesulfonate; In methanol; at 20 ℃; for 1h;

1-methyl-1-azonia-3,5-diaza-7-phosphatricyclo[3.3.1.1^3,7]decane iodide; In methanol; at 20 ℃; for 48h;

DOI:10.1002/ejic.201700183

upstream raw materials:

(1,3,5-triaza-7-phosphaadamantane)

methyl iodide

Downstream raw materials:

[RuCpI(N-methyl-1,3,5-triaza-7-phosphaadamantane)(PPh₃)]Cl