N~2~-[(4-Aminophenyl)methyl]-N~4~,N~6~-dibutyl-1,3,5-triazine-2,4,6-triamine

Base Information

• Chemical Name: N~2~-[(4-Aminophenyl)methyl]-N~4~,N~6~-dibutyl-1,3,5-triazine-2,4,6-triamine
• CAS No.: 370589-90-5
• Molecular Formula: C18H29N7
• Molecular Weight: 343.475
• DSSTox Substance ID: DTXSID90573819
• Nikkaji Number: J1.623.836H
• Wikidata: Q82462648
• Mol file: 370589-90-5.mol

Synonyms:370589-90-5;DTXSID90573819;N~2~-[(4-Aminophenyl)methyl]-N~4~,N~6~-dibutyl-1,3,5-triazine-2,4,6-triamine

Chemical Property of N~2~-[(4-Aminophenyl)methyl]-N~4~,N~6~-dibutyl-1,3,5-triazine-2,4,6-triamine

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 343.24844395
• Heavy Atom Count: 25
• Complexity: 315

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC1=NC(=NC(=N1)NCC2=CC=C(C=C2)N)NCCCC

Technology Process of N~2~-[(4-Aminophenyl)methyl]-N~4~,N~6~-dibutyl-1,3,5-triazine-2,4,6-triamine

There total 1 articles about N~2~-[(4-Aminophenyl)methyl]-N~4~,N~6~-dibutyl-1,3,5-triazine-2,4,6-triamine 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%

2-chloro-4,6-bis-(n-butylamino)-1,3,5-triazine (7386-43-8) + (4-aminomethyl)aniline (4403-71-8) → N-(4-amino-benzyl)-N',N''-dibutyl-[1,3,5]triazine-2,4,6-triamine (370589-90-5)

Guidance literature:

In tetrahydrofuran; at 70 ℃; for 12h;

DOI:10.1021/ja0041369

Reference yield: 95.0%

1,3,5-trichloro-2,4,6-triazine (108-77-0) + N-(4-amino-benzyl)-N',N''-dibutyl-[1,3,5]triazine-2,4,6-triamine (370589-90-5) → C39H56ClN17 (370589-91-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 0 - 20 ℃; for 25h;

DOI:10.1021/ja0041369

Reference yield:

N-(4-amino-benzyl)-N',N''-dibutyl-[1,3,5]triazine-2,4,6-triamine (370589-90-5) → C46H65N19 (370589-93-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / DIPEA / tetrahydrofuran / 25 h / 0 - 20 °C

2: 92 percent / tetrahydrofuran / 24 h / 80 °C

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran;

DOI:10.1021/ja0041369

upstream raw materials:

2-chloro-4,6-bis-(n-butylamino)-1,3,5-triazine

(4-aminomethyl)aniline

Downstream raw materials:

C₃₉H₅₆ClN₁₇

(2-{2-[2-(2-{4-[4-(4-{4-[(4,6-bis-butylamino-[1,3,5]triazin-2-ylamino)-methyl]-phenylamino}-6-chloro-[1,3,5]triazin-2-ylamino)-benzylamino]-6-butylamino-[1,3,5]triazin-2-ylamino}-ethoxy)-ethoxy]-ethoxy}-ethyl)-carbamic acid tert-butyl ester

C₄₆H₆₅N₁₉

C₅₅H₈₂N₂₀O₅