2,4,6-Tris(pyrrolidin-1-yl)-1,3,5-triazine

Base Information

• Chemical Name: 2,4,6-Tris(pyrrolidin-1-yl)-1,3,5-triazine
• CAS No.: 5794-91-2
• Molecular Formula: C15H24 N6
• Molecular Weight: 288.396
• European Community (EC) Number: 227-339-9
• NSC Number: 57523
• UNII: WWG5UQV2ZT
• DSSTox Substance ID: DTXSID80206644
• Nikkaji Number: J218.054E
• Wikidata: Q83080494
• Mol file: 5794-91-2.mol

Synonyms:5794-91-2;2,4,6-Tris(pyrrolidin-1-yl)-1,3,5-triazine;2,4,6-tripyrrolidin-1-yl-1,3,5-triazine;2,4,6-tri(pyrrolidin-1-yl)-1,3,5-triazine;EINECS 227-339-9;NSC-57523;TRIS(PYRROLIDIN-1-YL)-1,3,5-TRIAZINE;1,3,5-triazine, 2,4,6-tri-1-pyrrolidinyl-;NSC57523;WWG5UQV2ZT;SCHEMBL1975340;DTXSID80206644;NSC 57523;2,4,6-Tripyrrolizino-1,3,5-triazine;2,4,6-Tri(1-pyrrolidinyl)-s-triazine;s-Triazine, 2,4,6-tri-1-pyrrolidinyl-;WS-00927;2,4,6-Tri-1-pyrrolidinyl-1,3,5-triazine;D86731

Chemical Property of 2,4,6-Tris(pyrrolidin-1-yl)-1,3,5-triazine

Chemical Property:

• Vapor Pressure: 1.3E-09mmHg at 25°C
• Melting Point: 186.6-189.8 °C
• Boiling Point: 486.3°Cat760mmHg
• PKA: 6.27±0.10(Predicted)
• Flash Point: 247.9°C
• PSA: 48.39000
• Density: 1.239g/cm³
• LogP: 1.86720
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 288.20624479
• Heavy Atom Count: 21
• Complexity: 269

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=NC(=NC(=N2)N3CCCC3)N4CCCC4

Technology Process of 2,4,6-Tris(pyrrolidin-1-yl)-1,3,5-triazine

There total 6 articles about 2,4,6-Tris(pyrrolidin-1-yl)-1,3,5-triazine 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%

pyrrolidine (123-75-1) + 1,3,5-trichloro-2,4,6-triazine (108-77-0) → 2,4,6-tri(pyrrolidin-1-yl)-1,3,5-triazine (5794-91-2)

Guidance literature:

In acetone; for 2h;

DOI:10.1007/s10895-018-2235-2

Reference yield: 95.0%

1-Methylpyrrolidine (120-94-5) + 1,3,5-trichloro-2,4,6-triazine (108-77-0) → 2,4,6-tri(pyrrolidin-1-yl)-1,3,5-triazine (5794-91-2)

Guidance literature:

In dichloromethane; at 0 ℃;

DOI:10.1016/j.tet.2009.03.017

Reference yield: 73.0%

pyrrolidine-1-carbonitrile (1530-88-7) → 2,4,6-tri(pyrrolidin-1-yl)-1,3,5-triazine (5794-91-2)

Guidance literature:

With trifluoromethylsulfonic anhydride; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1055/s-2004-815927

upstream raw materials:

pyrrolidine

1,3,5-trichloro-2,4,6-triazine

cyanuric acid

pyrrolidine-1-carbonitrile

Refernces

• 1、 Rad, Mohammad Navid Soltani,Khalafi-Nezhad, Ali,Asrari, Zeinab,Behrouz, Somayeh,Amini, Zohreh,Behrouz, Marzieh. "One-Pot synthesis of sulfonamides from primary and secondary amine derived sulfonate salts using cyanuric chloride". scheme or table. p. 3983 - 3988. Retrieved 2010/03/26.
• 2、 Herrera, Antonio,Martinez-Alvarez, Roberto,Ramiro, Pedro,Chioua, Mourad,Chioua, Rachid. "A practical and easy synthesis of 2,4,6-trisubstituted-s-triazines". . p. 503 - 505. Retrieved 2007/10/03.