Fluororaclopride

Base Information

• Chemical Name: Fluororaclopride
• CAS No.: 124840-52-4
• Molecular Formula: C₁₅H₁₉Cl₂FN₂O₃
• Molecular Weight: 365.232
• Nikkaji Number: J343.600D
• ChEMBL ID: CHEMBL312602
• Mol file: 124840-52-4.mol

Synonyms:fluororaclopride;S-3,5-dichloro-6-methoxy-N-(1-(2-(F-18)-fluoroethyl)-2-pyrrolidinylmethyl)salicylamide

Chemical Property of Fluororaclopride

Chemical Property:

• Vapor Pressure: 3.66E-08mmHg at 25°C
• Boiling Point: 434.7°Cat760mmHg
• Flash Point: 216.7°C
• PSA: 61.80000
• Density: 1.328g/cm³
• LogP: 3.20010
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 364.0756760
• Heavy Atom Count: 23
• Complexity: 405

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1C(=O)NCC2CCCN2CCF)O)Cl)Cl
• Isomeric SMILES: COC1=C(C=C(C(=C1C(=O)NC[C@@H]2CCCN2CCF)O)Cl)Cl

Technology Process of Fluororaclopride

There total 1 articles about Fluororaclopride 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:

(S)-2-<(3,5-dichloro-2,6-dimethoxybenzamido)methyl>-1-(2-fluoroethyl)pyrrolidine hydrochloride → (S)-2-<(3,5-dichloro-6-methoxy-2-hydroxybenzamido)methyl>-1-(2-fluoroethyl)pyrrolidine (124840-52-4)

Guidance literature:

With hydrogenchloride; boron tribromide; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1021/jm00171a017