s-Triazine, hexahydro-1,3,5-tri-p-tolyl-

Base Information

• Chemical Name: s-Triazine, hexahydro-1,3,5-tri-p-tolyl-
• CAS No.: 6639-47-0
• Molecular Formula: C24H27 N3
• Molecular Weight: 357.498
• Hs Code.: 2933699090
• NSC Number: 48702
• UNII: 2OF2E7U2SG
• DSSTox Substance ID: DTXSID70216611
• Nikkaji Number: J49.132B
• Wikidata: Q83092860
• Mol file: 6639-47-0.mol

Synonyms:Anhydroformaldehyde p-toluidine;s-Triazine, hexahydro-1,3,5-tri-p-tolyl-;1,3,5-tris(4-methylphenyl)-1,3,5-triazinane;6639-47-0;Anhydroformaldehyde paratoluidine;Hexahydro-1,3,5-tri-p-tolyl-s-triazine;NSC 48702;BRN 0329591;2OF2E7U2SG;s-Triazine, hexahydro-1,3,5-tritolyl-;1,3,5-Triazine, hexahydro-1,3,5-tris(4-methylphenyl)-;NSC-48702;4-26-00-00009 (Beilstein Handbook Reference);UNII-2OF2E7U2SG;s-Triazine,3,5-tritolyl-;s-Triazine,3,5-tri-p-tolyl-;SCHEMBL9678667;DTXSID70216611;NSC48702;AKOS002234116;1,3,5-tris(p-tolyl)-1,3,5-triazinane;LS-155441;1,3,5-tri(4-methylphenyl)-1,3,5-triazinane;1,3,5-Tri(p-tolyl)hexahydro-1,3,5-triazine;1,3,5-tris(4-methylphenyl)-hexahydro-s-triazine;WLN: T6N CN ENTJ AR D1& CR D1& ER D1;1,3,5-TRI-P-TOLYLHEXAHYDRO-1,3,5-TRIAZINE;1,5-Triazine, hexahydro-1,3,5-tris(4-methylphenyl)-;HEXAHYDRO-1,3,5-TRIS(4-METHYLPHENYL)-S-TRIAZINE;HEXAHYDRO-1,3,5-TRIS(4-METHYLPHENYL)-1,3,5-TRIAZINE

Chemical Property of s-Triazine, hexahydro-1,3,5-tri-p-tolyl-

Chemical Property:

• Vapor Pressure: 1.82E-12mmHg at 25°C
• Boiling Point: 557.5°C at 760 mmHg
• Flash Point: 317°C
• PSA: 9.72000
• Density: 1.113g/cm³
• LogP: 5.51250
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 357.220497874
• Heavy Atom Count: 27
• Complexity: 364

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2CN(CN(C2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C

Technology Process of s-Triazine, hexahydro-1,3,5-tri-p-tolyl-

There total 11 articles about s-Triazine, hexahydro-1,3,5-tri-p-tolyl- 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: 96.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + p-toluidine (106-49-0,12221-03-3) → 1,3,5-tris(p-tolyl)hexahydro-s-triazine (6639-47-0)

Guidance literature:

With triethylamine; In ethanol; water; at 25 ℃; for 0.25h; Reagent/catalyst; Time; Sonication; Irradiation;

DOI:10.3987/COM-13-12672

Reference yield: 95.0%

p-toluidine (106-49-0,12221-03-3) + 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (51-46-7) → 1,3,5-tris(p-tolyl)hexahydro-s-triazine (6639-47-0)

Guidance literature:

In ethanol; water; at 20 ℃; for 0.25h;

DOI:10.1081/SCC-120003638

Reference yield: 82.0%

4-toluidine (88919-94-2) → 1,3,5-tris(p-tolyl)hexahydro-s-triazine (6639-47-0)

Guidance literature:

at 50 ℃; for 0.5h; under 0.001 Torr;

DOI:10.1039/P19880001631

upstream raw materials:

formaldehyd

bis(4-methylphenylamino)methane

p-toluidine

N-allyl-N-ethyl-p-toluidine

Downstream raw materials:

bis(4-methylphenylamino)methane

azoxybenzene

Refernces

• 1、 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.
• 2、 Liu, Ruixing,Liu, Jiaxin,Wei, Yin,Shi, Min. "Activation Relay on Rhodium-Catalyzed C-H Aminomethylation in Cooperation with Photoredox Catalysis". supporting information. p. 4077 - 4081. Retrieved 2019/06/14.