1,3,5-Tribenzylhexahydro-1,3,5-triazine

Base Information

• Chemical Name: 1,3,5-Tribenzylhexahydro-1,3,5-triazine
• CAS No.: 2547-66-2
• Molecular Formula: C24H27 N3
• Molecular Weight: 357.498
• Hs Code.: 29336990
• European Community (EC) Number: 219-831-7
• NSC Number: 169717
• UNII: NB44XJH3W2
• DSSTox Substance ID: DTXSID80180157
• Nikkaji Number: J192.038C
• Wikidata: Q72509868
• Mol file: 2547-66-2.mol

Synonyms:1,3,5-tribenzyl-1,3,5-triazinane;2547-66-2;1,3,5-Tribenzylhexahydro-1,3,5-triazine;1,3,5-Triazine, hexahydro-1,3,5-tris(phenylmethyl)-;1,3,5-Tribenzylhexahydro-S-triazine;NB44XJH3W2;EINECS 219-831-7;MFCD00014599;NSC-169717;1,3,5-tribenzyl-[1,3,5]triazinane;NSC169717;UNII-NB44XJH3W2;SCHEMBL1639911;DTXSID80180157;BBL027810;STK525050;AKOS005458915;AM10017;DS-4554;NSC 169717;SY066672;CS-0156276;FT-0742183;C(c1ccccc1)N2CN(Cc3ccccc3)CN(C2)Cc4ccccc4;D70966;1,3,5-Tribenzylhexahydro-1,3,5-triazine, 98%;A853632;J-016010;Hexahydro-1,3,5-tris(phenylmethyl)-1,3,5-triazine

Chemical Property of 1,3,5-Tribenzylhexahydro-1,3,5-triazine

Chemical Property:

• Vapor Pressure: 7.94E-09mmHg at 25°C
• Melting Point: 49-51 °C(lit.)
• Refractive Index: 1.6270 (estimate)
• Boiling Point: 100 °C0.005 mm Hg(lit.)
• PKA: 5.46±0.20(Predicted)
• Flash Point: 234.5°C
• PSA: 9.72000
• Density: 1.136g/cm³
• LogP: 4.19280
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 357.220497874
• Heavy Atom Count: 27
• Complexity: 334

Purity/Quality:

90.0%Min ^*data from raw suppliers

1,3,5-Tribenzylhexahydro-1,3,5-triazine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1N(CN(CN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4
• Uses: 1,3,5-Tribenzyl-1,3,5-triazinane is used as a reagent in the synthesis of phosphinic acid based N-Acetylated alpha-linked acidic dipeptidase (NAALADase) inhibitors, which may potentially be used for the treatment of both neurodegenerative disorders and peripheral neuropathies. 1,3,5-Tribenzylhexahydro-1,3,5-triazine is used as a reagent in the synthesis of phosphinic acid based NAALADase inhibitors which may potentially be used for the treatment of both neurodegenerative disorders and peripheral neuropathies. 1,3,5-Tribenzylhexahydro-1,3,5-triazine was used:in the synthesis of alkyl β-aminocarboxylates via trifluoromethanesulfonic acid catalyzed reaction with ketene silyl acetalsas ligand to study the assembling process of a heterogeneous Cr-based single-site ethylene trimerization catalyst by X-ray absorption spectroscopyas ligand during conversion of Phillips Cr/SiO2 polymerisation catalyst to ethylene trimerisation catalyst after assembling new active sites on the silica surface

Technology Process of 1,3,5-Tribenzylhexahydro-1,3,5-triazine

There total 17 articles about 1,3,5-Tribenzylhexahydro-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%

benzylamine (100-46-9) + (+/-)-2-(1,3,5-dithiazinan-5-yl)-1-methylethanol (633336-01-3) → 1,3,5-Tribenzyl-1,3,5-triazacyclohexane (2547-66-2) + 3-amino-2-propanol (78-96-6,1674-56-2)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

DOI:10.3987/com-04-10151

Reference yield: 95.0%

benzylamine (100-46-9) + 5-(2-hydroxyethyl)hexahydro-1,3,5-dithiazine (88891-55-8) → 1,3,5-Tribenzyl-1,3,5-triazacyclohexane (2547-66-2) + ethanolamine (141-43-5)

Guidance literature:

at 20 ℃; for 24h;

DOI:10.3987/com-04-10151

Reference yield: 93.1%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + benzylamine (100-46-9) → 1,3,5-Tribenzyl-1,3,5-triazacyclohexane (2547-66-2)

Guidance literature:

In water; for 3h; Heating;

upstream raw materials:

1,4-dioxane

1,7-diacetoxy-2,4,6-trinitro-2,4,6-triazaheptane

benzylamine

N-benzylaminomethanesulfonic acid

Downstream raw materials:

methyl 2,2-dimethyl-3-(benzylamino)propionate

benzylaminoacetonitrile

N-benzyl-aminomethyl-di(n-butyl)phosphine oxide

ethyl-3-benzylamino propionate

Refernces

• 1、 Ye, Gaoyang,Roques, Jérome,Solari, Pier-Lorenzo,Den Auwer, Christophe,Jeanson, Aurélie,Brandel, Jérémy,Charbonnière, Lo?c J.,Wu, Wangsuo,Simoni, éric. "Structural and Thermodynamics Studies on Polyaminophosphonate Ligands for Uranyl Decorporation". . p. 2149 - 2159. Retrieved 2021.
• 2、 Perevalov, Valery P.,Mityanov, Vitaly S.,Lichitsky, Boris V.,Komogortsev, Andrey N.,Kuz'mina, Ludmila G.,Koldaeva, Tatyana Yu.,Miroshnikov, Vladimir S.,Kutasevich, Anton V.. "Synthesis of highly functional imidazole derivatives via assembly of 2-unsubstituted imidazole N-oxides with CH-acids and arylglyoxals". . . Retrieved 2020.
• 3、 Liu, Lijuan,Shi, Zhichao,Zhang, Xun,Zhan, Feng,Lin, Jin-Shun,Jiang, Yuyang. "Synthesis of α-Amino Tertiary Alkylperoxides by Lewis Acid-Catalyzed Peroxidation of 1,3,5-Triazines". supporting information. p. 3487 - 3491. Retrieved 2021/09/20.