1,3,5-Tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane

Base Information

• Chemical Name: 1,3,5-Tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane
• CAS No.: 80458-17-9
• Molecular Formula: C30H60N6
• Molecular Weight: 504.847
• European Community (EC) Number: 279-476-9
• DSSTox Substance ID: DTXSID601001253
• Nikkaji Number: J320.276C
• Wikidata: Q82995114
• Mol file: 80458-17-9.mol

Synonyms:80458-17-9;1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane;Hexahydro-1,3,5-tris(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazine;EINECS 279-476-9;CBMicro_021142;Oprea1_856189;DTXSID601001253;C30H60N6;CCG-8722;AKOS024273513;C30-H60-N6;BIM-0021361.P001;1,3,5-Tris(2,2,6,6-tetramethylpiperid-4-yl)hexahydrotriazine;1,3,5-Tris(2,2,6,6-tetramethyl-4-piperidinyl)-1,3,5-triazinane #;Hexahydro-1,3,5-tris(2,2,6,6-tetramethyl-4-piperidinyl)-1,3,5-triazine;1,3,5-Triazine, hexahydro-1,3,5-tris(2,2,6,6-tetramethyl-4-piperidinyl)-

Chemical Property of 1,3,5-Tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane

Chemical Property:

• Vapor Pressure: 1.23E-11mmHg at 25°C
• Boiling Point: 537.8°C at 760 mmHg
• Flash Point: 247.8°C
• PSA: 45.81000
• Density: 0.937g/cm³
• LogP: 5.50620
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 504.48794594
• Heavy Atom Count: 36
• Complexity: 633

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(CC(N1)(C)C)N2CN(CN(C2)C3CC(NC(C3)(C)C)(C)C)C4CC(NC(C4)(C)C)(C)C)C

Technology Process of 1,3,5-Tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane

There total 1 articles about 1,3,5-Tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane 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: 86.0%

4-AMINO-2,2,6,6-TETRAMETHYLPIPERIDINE (36768-62-4) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,5]-triazinane (80458-17-9)

Guidance literature:

In water;

DOI:10.1007/BF00957716

Reference yield: 82.0%

1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,5]-triazinane (80458-17-9) + N-{4-[2-(4-fluorophenyl)-2-hydroxyliminoacetyl]pyridin-2-yl}acetamide (452056-82-5) → N-{4-[5-(4-fluorophenyl)-1-oxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-imidazol-4-yl]pyridin-2-yl}acetamide (452056-85-8)

Guidance literature:

In ethanol; Heating;

DOI:10.1021/jm030766k

Reference yield:

1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,5]-triazinane (80458-17-9) → 4-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)-5-(2-ethylamino-4-pyridyl)-methylthioimidazole

Guidance literature:

Multi-step reaction with 4 steps

1: 82 percent / ethanol / Heating

2: 93 percent / 2,2,4,4-tetramethylcyclobutane-1,3-dithione / CH₂Cl₂ / 20 °C

3: 18 percent / Na₂CO₃ / ethanol; tetrahydrofuran / Heating

4: 32 percent / LiAlH₄ / tetrahydrofuran / Heating

With lithium aluminium tetrahydride; 2,2,4,4-tetramethylcyclobutane-1,3-dithione; sodium carbonate; In tetrahydrofuran; ethanol; dichloromethane;

DOI:10.1021/jm030766k

upstream raw materials:

4-AMINO-2,2,6,6-TETRAMETHYLPIPERIDINE

formaldehyd

Downstream raw materials:

N-{4-[5-(4-fluorophenyl)-1-oxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-imidazol-4-yl]pyridin-2-yl}acetamide

4-(4-Fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)-5-(2-acetamido-4-pyridyl)-2-methylthioimidazole

N-{4-[5-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)-2-thioxo-2,3-dihydro-1H-imidazol-4-yl]pyridin-2-yl}acetamide