Bis-(3-phenyl-propyl)-amine

Base Information

• Chemical Name: Bis-(3-phenyl-propyl)-amine
• CAS No.: 93948-20-0
• Molecular Formula: C18H23 N
• Molecular Weight: 253.387
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID10440418
• Nikkaji Number: J587.671K
• Wikidata: Q82256723
• Pharos Ligand ID: ULCN9UZSQGZU
• ChEMBL ID: CHEMBL20166
• Mol file: 93948-20-0.mol

Synonyms:Bis-(3-phenyl-propyl)-amine;93948-20-0;3-phenyl-N-(3-phenylpropyl)propan-1-amine;CHEMBL20166;di(3-phenylpropyl)amine;N,N-Bis(3-phenylpropyl)amine;SCHEMBL4254894;DTXSID10440418;BDBM50041242;AKOS003383090

Chemical Property of Bis-(3-phenyl-propyl)-amine

Chemical Property:

• Melting Point: 200-201 °C
• Boiling Point: 245 °C(Press: 35 Torr)
• PKA: 10.47±0.19(Predicted)
• PSA: 12.03000
• Density: 0.982±0.06 g/cm3(Predicted)
• LogP: 4.23250
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 253.183049738
• Heavy Atom Count: 19
• Complexity: 180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCNCCCC2=CC=CC=C2

Technology Process of Bis-(3-phenyl-propyl)-amine

There total 49 articles about Bis-(3-phenyl-propyl)-amine 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: 38.0%

cinnamic nitrile (1885-38-7) → 3-Phenylpropan-1-amine (2038-57-5) + bis-(3-phenyl-propyl)-amine (93948-20-0)

Guidance literature:

With sodium tetrahydroborate; hydrogen; nickel dichloride; In isopropyl alcohol; at 70 ℃; for 16h;

DOI:10.1134/S1070363216020110

Reference yield:

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + carbon monoxide (201230-82-2) + benzylamine (100-46-9) → 3-Phenylpropan-1-amine (2038-57-5) + bis-(3-phenyl-propyl)-amine (93948-20-0)

Guidance literature:

styrene; carbon monoxide; benzylamine; With C₂₀H₂₂N₂ORh⁽¹⁺⁾*C₂₄H₂₀B^(1-); hydrogen; In toluene; at 85 ℃; for 6h; under 37503.8 Torr;

With palladium 10% on activated carbon; hydrogen; In ethanol; at 75 ℃; for 24h; under 3750.38 Torr;

DOI:10.1016/j.tetlet.2021.153018

Reference yield:

dihydrocinnamonitrile (645-59-0) → 3-Phenylpropan-1-amine (2038-57-5) + bis-(3-phenyl-propyl)-amine (93948-20-0)

Guidance literature:

With acetic acid ester; ethanol; nickel; Hydrogenation;

DOI:10.2106/00004623-200207000-00013

upstream raw materials:

3-phenyl-propionaldehyde

3-Phenylpropan-1-amine

ethanol

(1E,2Z)-3-phenylacrylaldehyde oxime

Downstream raw materials:

alverine

Refernces

• 1、 Vermaak, Vincent,Vosloo, Hermanus C.M.,Swarts, Andrew J.. "Chemoselective transfer hydrogenation of nitriles to secondary amines with nickel(II) catalysts". . . Retrieved 2021/07/25.
• 2、 Nait Ajjou, Abdelaziz,Robichaud, André. "Chemoselective hydrogenation of nitriles to primary amines catalyzed by water-soluble transition metal catalysts". . . Retrieved 2018/08/07.