2,6-Bis({bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}methyl)phenol

Base Information

• Chemical Name: 2,6-Bis({bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}methyl)phenol
• CAS No.: 142206-18-6
• Molecular Formula: C₃₂H₄₄N₁₀O
• Molecular Weight: 584.768
• DSSTox Substance ID: DTXSID10566329
• Mol file: 142206-18-6.mol

Synonyms:142206-18-6;2,6-Bis({bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}methyl)phenol;DTXSID10566329

Chemical Property of 2,6-Bis({bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}methyl)phenol

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 584.36995607
• Heavy Atom Count: 43
• Complexity: 750

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1CN(CC2=C(C(=CC=C2)CN(CN3C(=CC(=N3)C)C)CN4C(=CC(=N4)C)C)O)CN5C(=CC(=N5)C)C)C

Technology Process of 2,6-Bis({bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}methyl)phenol

There total 1 articles about 2,6-Bis({bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}methyl)phenol 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:

1-(Hydroxymethyl)-3,5-dimethylpyrazole (85264-33-1) + 2,6-bis(aminomethyl)phenol dihydrochloride (118685-42-0,142206-21-1) → 2,6-bis<(bis(3,5-dimethylpyrazol-1-ylmethyl)amino)methyl>phenol (142206-18-6)

Guidance literature:

With potassium hydroxide; Yield given. Multistep reaction; 1.) MeOH, 0.5 h, 2.) MeOH, MeCN, 72 h;

Reference yield: 42.0%

copper(II) tetrafluroborate hexahydrate + 2,6-bis<(bis(3,5-dimethylpyrazol-1-ylmethyl)amino)methyl>phenol (142206-18-6) → {Cu2(2,6-bis{(bis(3,5-dimethylpyrazol-1-ylmethyl)amino)methyl}phenol)(azide)}(BF4)2 * CH3OH

Guidance literature:

With sodium azide; In methanol; water; ligand in methanol was added to Cu-salt in methanol followed by NaN3 dissolved in water; filtered, solvent reduced, cooled to -20°C, filtered, washed with cold methanol, elem. anal.;

DOI:10.1016/S0020-1693(00)80754-9

Reference yield: 38.0%

copper(II) tetrafluroborate hexahydrate + 2,6-bis<(bis(3,5-dimethylpyrazol-1-ylmethyl)amino)methyl>phenol (142206-18-6) → {Cu2(2,6-bis{(bis(3,5-dimethylpyrazol-1-ylmethyl)amino)methyl}phenol)(Cl)}(BF4)2 * H2O

Guidance literature:

In methanol; react. in methanol; filtered, solvent reduced, cooled to -20°C, filtered, washed with methanol, elem. anal.;

DOI:10.1016/S0020-1693(00)80754-9

upstream raw materials:

1-(Hydroxymethyl)-3,5-dimethylpyrazole

2,6-bis(aminomethyl)phenol dihydrochloride