1,3,5-Triazine, hexahydro-1,3,5-tris[(1R)-1-phenylethyl]-

Base Information

• Chemical Name: 1,3,5-Triazine, hexahydro-1,3,5-tris[(1R)-1-phenylethyl]-
• CAS No.: 170716-16-2
• Molecular Formula: C27H33N3
• Molecular Weight: 399.579
• DSSTox Substance ID: DTXSID30449428
• Nikkaji Number: J772.518C
• Wikidata: Q82268888
• Mol file: 170716-16-2.mol

Synonyms:1,3,5-Triazine, hexahydro-1,3,5-tris[(1R)-1-phenylethyl]-;170716-16-2;DTXSID30449428;1,3,5-Tris[(R)-alpha-methylbenzyl]hexahydro-1,3,5-triazine

Chemical Property of 1,3,5-Triazine, hexahydro-1,3,5-tris[(1R)-1-phenylethyl]-

Chemical Property:

• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 399.267448065
• Heavy Atom Count: 30
• Complexity: 407

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)N2CN(CN(C2)C(C)C3=CC=CC=C3)C(C)C4=CC=CC=C4
• Isomeric SMILES: C[C@H](C1=CC=CC=C1)N2CN(CN(C2)[C@H](C)C3=CC=CC=C3)[C@H](C)C4=CC=CC=C4

Technology Process of 1,3,5-Triazine, hexahydro-1,3,5-tris[(1R)-1-phenylethyl]-

There total 1 articles about 1,3,5-Triazine, hexahydro-1,3,5-tris[(1R)-1-phenylethyl]- 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%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + (R)-1-phenyl-ethyl-amine (3886-69-9) → 1,3,5-tris<(R)-(+)-phenylethyl>hexahydrotriazine (170716-16-2)

Guidance literature:

In dichloromethane; at 20 ℃; for 3h;

DOI:10.1039/b302168h

Reference yield: 80.0%

Diphenylphosphine oxide (4559-70-0) + 1,3,5-tris<(R)-(+)-phenylethyl>hexahydrotriazine (170716-16-2) → (1R)-N-diphenylphosphinoylmethyl-N-1-phenylethylamine (568565-48-0)

Guidance literature:

In toluene; for 2h; Heating;

DOI:10.1039/b302168h

Reference yield:

(furan-2-yloxy)-trimethylsilane (61550-02-5) + 1,3,5-tris<(R)-(+)-phenylethyl>hexahydrotriazine (170716-16-2) → (R)-5-[((R)-1-Phenyl-ethylamino)-methyl]-5H-furan-2-one + (S)-5-[((R)-1-Phenyl-ethylamino)-methyl]-5H-furan-2-one

Guidance literature:

With tin(IV) chloride; In dichloromethane; at -78 ℃; for 1.5h; Product distribution; diastereomeric ratio is dependent on the reaction temperature;

DOI:10.3987/COM-96-7650

upstream raw materials:

formaldehyd

(R)-1-phenyl-ethyl-amine

Downstream raw materials:

methyl (2S,1'R)-1-(1'-phenylethyl)-aziridine-2-carboxylate

methyl (2R,1'R)-1-(1'-phenylethyl)-aziridine-2-carboxylate

(1R)-N-diphenylphosphinoylmethyl-N-1-phenylethylamine

(1R)-N-diphenylphosphinoylmethyl-N-methyl-N-1-phenylethylamine