N-Phprop-fphetp

Base Information

• Chemical Name: N-Phprop-fphetp
• CAS No.: 152565-98-5
• Molecular Formula: C₂₀H₂₀FNO
• Molecular Weight: 309.383
• DSSTox Substance ID: DTXSID30934541
• Nikkaji Number: J566.656B
• Wikidata: Q82910445
• Pharos Ligand ID: DPSATVJDPNF5
• ChEMBL ID: CHEMBL338181
• Mol file: 152565-98-5.mol

Synonyms:N-(1-phenylpropionyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine;N-PhProp-FPheTP

Chemical Property of N-Phprop-fphetp

Chemical Property:

• Vapor Pressure: 1.56E-08mmHg at 25°C
• Boiling Point: 456.9°Cat760mmHg
• Flash Point: 230.1°C
• PSA: 20.31000
• Density: 1.142g/cm³
• LogP: 4.12570
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 309.15289242
• Heavy Atom Count: 23
• Complexity: 419

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CC=C1C2=CC=C(C=C2)F)CCC(=O)C3=CC=CC=C3

Technology Process of N-Phprop-fphetp

There total 1 articles about N-Phprop-fphetp 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-(p-fluorophenyl)-1,2,3,6-tetrahydropyridine (1978-59-2) + acetophenone (98-86-2) → C20H20FNO (152565-98-5)

Guidance literature:

In 1,4-dioxane; at 100 - 110 ℃; for 0.0833333h; under 1034.32 Torr; pH=1 - 2; Microwave irradiation; Sealed tube;

DOI:10.1016/j.ejmech.2018.04.038

Reference yield: 20.0%

C20H20FNO (152565-98-5) → 3-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-phenylpropan-1-ol

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; for 2h;

DOI:10.1016/j.ejmech.2018.04.038

upstream raw materials:

formaldehyd

4-(p-fluorophenyl)-1,2,3,6-tetrahydropyridine

acetophenone

Refernces