1,3,5-Triaza-7-phosphaadamantane,min.97%

Base Information

• Chemical Name: 1,3,5-Triaza-7-phosphaadamantane,min.97%
• CAS No.: 53597-69-6
• Molecular Formula: C6H12 N3 P
• Molecular Weight: 157.155
• Hs Code.: 2933990090
• European Community (EC) Number: 682-099-6
• NSC Number: 266642
• UNII: 6W8JQP73M4
• DSSTox Substance ID: DTXSID40201812
• Nikkaji Number: J1.876.502K,J631.094J
• Wikipedia: 1,3,5-Triaza-7-phosphaadamantane
• Wikidata: Q27464577
• Mol file: 53597-69-6.mol

Synonyms:1,3,5-Triaza-7-phosphaadamantane;NSC 266642

Chemical Property of 1,3,5-Triaza-7-phosphaadamantane,min.97%

Chemical Property:

• Vapor Pressure: 0.0588mmHg at 25°C
• Melting Point: 244-250 °C
• Boiling Point: 232.5°Cat760mmHg
• PKA: 5.78±0.20(Predicted)
• Flash Point: 94.4°C
• PSA: 23.31000
• Density: g/cm³
• LogP: -0.02620
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Hygroscopic
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 157.07688439
• Heavy Atom Count: 10
• Complexity: 123

Purity/Quality:

97% ^*data from raw suppliers

1,3,5-Triaza-7-phosphaadamantane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1N2CN3CN1CP(C2)C3

Technology Process of 1,3,5-Triaza-7-phosphaadamantane,min.97%

There total 2 articles about 1,3,5-Triaza-7-phosphaadamantane,min.97% 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: 100.0%

1-boranyl-1,3,5-triaza-7-phosphaadamantane (916730-63-7) + water (7732-18-5) → boric acid (11113-50-1,14635-83-7) + (1,3,5-triaza-7-phosphaadamantane) (53597-69-6)

Guidance literature:

In water; acetone; B-complex reacted with water in acetone/water (1:1) at 80°C for ca. 48 h; detn. by IR, 11B-NMR;

DOI:10.1016/j.inoche.2006.01.003

Reference yield: 60.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + diaminomethane (2372-88-5) + tris(hydroxymethyl)phosphine (2767-80-8) → (1,3,5-triaza-7-phosphaadamantane) (53597-69-6)

Guidance literature:

With ammonia;

DOI:10.1016/S0040-4039(00)92742-4

Reference yield: 95.0%

benzyl chloride (100-44-7) + (1,3,5-triaza-7-phosphaadamantane) (53597-69-6) → 1-benzyl-1-azonia-3,5-diaza-7-phosphaadamantyl chloride (63459-54-1)

Guidance literature:

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

DOI:10.1080/10426507.2018.1539993

upstream raw materials:

formaldehyd

diaminomethane

tris(hydroxymethyl)phosphine

1-boranyl-1,3,5-triaza-7-phosphaadamantane

Downstream raw materials:

3,5-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonanee

1-benzyl-1-azonia-3,5-diaza-7-phosphaadamantyl chloride

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

1,3,5-Triaza-7-phospha-tricyclo[3.3.1.1^3,7]decane 7-selenide

Refernces

New water-soluble azido- and derived tetrazolato-platinum(ii) complexes with PTA. Easy metal-mediated synthesis and isolation of 5-substituted tetrazoles

10.1039/b808156e

This research explores the synthesis and characterization of water-soluble azido- and tetrazolato-platinum(II) complexes using 1,3,5-triaza-7-phosphaadamantane (PTA) and its derivatives. The primary objective was to develop an environmentally friendly and efficient method for synthesizing 5-substituted-1H-tetrazoles, which have significant applications in pharmaceuticals and materials science. The researchers reacted cis-[Pt(N3)2(PPh3)2] with PTA or [Me-PTA]I to obtain diazido-platinum(II) complexes, which were then subjected to [2 + 3] cycloadditions with organonitriles under microwave irradiation to form bis(tetrazolato) complexes. The tetrazoles were easily liberated from these complexes using aqueous HCl, yielding high-purity products. The study concluded that the use of PTA in these reactions offers a convenient and efficient route for synthesizing and isolating tetrazoles, with the added advantage of water-soluble byproducts that simplify separation processes. This approach is expected to be applicable to a broader range of reactions, potentially expanding the scope of metal-mediated synthesis of nitrogen-containing heterocycles.