Desmethoxyfallypride

Base Information

• Chemical Name: Desmethoxyfallypride
• CAS No.: 166173-81-5
• Molecular Formula: C₁₉H₂₇FN₂O₂
• Molecular Weight: 334.434
• UNII: CJD4EF9EME
• DSSTox Substance ID: DTXSID301031714
• Nikkaji Number: J768.268I
• Wikipedia: Desmethoxyfallypride
• Pharos Ligand ID: KNQL91LMZ6NT
• ChEMBL ID: CHEMBL428561
• Mol file: 166173-81-5.mol

Synonyms:(18)F-desmethoxyfallypride;desmethoxyfallypride

Chemical Property of Desmethoxyfallypride

Chemical Property:

• Boiling Point: 454.0±45.0 °C(Predicted)
• PKA: 14.63±0.46(Predicted)
• Density: 1.066±0.06 g/cm3(Predicted)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 334.20565627
• Heavy Atom Count: 24
• Complexity: 405

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCCF)C(=O)NCC2CCCN2CC=C
• Isomeric SMILES: COC1=C(C=C(C=C1)CCCF)C(=O)NC[C@@H]2CCCN2CC=C

Technology Process of Desmethoxyfallypride

There total 1 articles about Desmethoxyfallypride 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: 79.0%

3-(3-(((S)-1-allylpyrrolidin-2-yl)methylcarbamoyl)-4-methoxyphenyl)propyl-4-methylbenzenesulfonate (713135-14-9) → Desmethoxyfallypride (166173-81-5)

Guidance literature:

With potassium fluoride; potassium carbonate; [2.2.2]cryptande; In acetonitrile; for 16h; Heating;

DOI:10.1016/j.bmc.2007.07.017

upstream raw materials:

3-(3-(((S)-1-allylpyrrolidin-2-yl)methylcarbamoyl)-4-methoxyphenyl)propyl-4-methylbenzenesulfonate