3-[Benzyl(propan-2-yl)amino]-1-(naphthalen-2-yl)propan-1-one

Base Information

• Chemical Name: 3-[Benzyl(propan-2-yl)amino]-1-(naphthalen-2-yl)propan-1-one
• CAS No.: 273727-89-2
• Molecular Formula: C23H25 N O
• Molecular Weight: 331.45
• UNII: M0ZX82000S
• DSSTox Substance ID: DTXSID701017205
• Nikkaji Number: J1.265.019A
• Pharos Ligand ID: R3632VQJ38CW
• ChEMBL ID: CHEMBL596674
• Mol file: 273727-89-2.mol

Synonyms:ZM39923

Chemical Property of 3-[Benzyl(propan-2-yl)amino]-1-(naphthalen-2-yl)propan-1-one

Chemical Property:

• Boiling Point: 478.8±28.0 °C(Predicted)
• PKA: 7.99±0.50(Predicted)
• PSA: 20.31000
• Density: 1.083±0.06 g/cm3(Predicted)
• LogP: 5.32320
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 331.193614421
• Heavy Atom Count: 25
• Complexity: 412

Purity/Quality:

97% ^*data from raw suppliers

ZM39923 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N(CCC(=O)C1=CC2=CC=CC=C2C=C1)CC3=CC=CC=C3

Technology Process of 3-[Benzyl(propan-2-yl)amino]-1-(naphthalen-2-yl)propan-1-one

There total 3 articles about 3-[Benzyl(propan-2-yl)amino]-1-(naphthalen-2-yl)propan-1-one 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-(naphthalen-2-yl)prop-2-en-1-one (4452-06-6) + Benzyl-isopropyl-amin (102-97-6) → 3-(benzyl(isopropyl)amino)-1-(naphthalen-2-yl)propan-1-one (273727-89-2)

Guidance literature:

With lithium perchlorate; at 20 ℃; for 1h;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Benzyl-isopropyl-amin (102-97-6) + methyl 2-naphthyl ketone (93-08-3) → 3-(benzyl(isopropyl)amino)-1-(naphthalen-2-yl)propan-1-one (273727-89-2)

Guidance literature:

In 1,4-dioxane; at 150 ℃; for 2h;

Reference yield:

β-naphthaldehyde (66-99-9) → 3-(benzyl(isopropyl)amino)-1-(naphthalen-2-yl)propan-1-one (273727-89-2)

Guidance literature:

Multi-step reaction with 3 steps

1: tetrahydrofuran / 1 h / 0 °C

2: tert.-butylhydroperoxide; chromium(III) oxide / dichloromethane / 1 h / 20 °C

3: lithium perchlorate / neat (no solvent) / 1 h / 20 °C

With tert.-butylhydroperoxide; chromium(III) oxide; lithium perchlorate; In tetrahydrofuran; dichloromethane; 3: |Michael Addition;

DOI:10.1016/j.bmcl.2016.03.042

upstream raw materials:

1-(naphthalen-2-yl)prop-2-en-1-one

Benzyl-isopropyl-amin

formaldehyd

methyl 2-naphthyl ketone

Downstream raw materials:

3-(benzyl(isopropyl)amino)-1-(naphthalen-2-yl)propan-1-ol

C₂₃H₂₇NO

C₂₃H₂₇NO