Befuraline

Base Information

• Chemical Name: Befuraline
• CAS No.: 41717-30-0
• Molecular Formula: C20H20 N2 O2
• Molecular Weight: 320.391
• Hs Code.: 2934999090
• UNII: 787AQ35GHR
• DSSTox Substance ID: DTXSID2046206
• Nikkaji Number: J16.627H
• Wikipedia: Befuraline
• Wikidata: Q4880386
• NCI Thesaurus Code: C72720
• ChEMBL ID: CHEMBL1076256
• Mol file: 41717-30-0.mol

Synonyms:befuraline;befuraline monohydrochloride;DIV 154

Chemical Property of Befuraline

Chemical Property:

• Vapor Pressure: 2.78E-09mmHg at 25°C
• Boiling Point: 477.5°Cat760mmHg
• Flash Point: 242.6°C
• PSA: 36.69000
• Density: 1.228g/cm³
• LogP: 3.26660
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 320.152477885
• Heavy Atom Count: 24
• Complexity: 427

Purity/Quality:

99%, ^*data from raw suppliers

BEFURALINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4O3

Technology Process of Befuraline

There total 2 articles about Befuraline 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:

Benzofuran-2-carboxylic acid (496-41-3) + 1-phenylmethylpiperazine (2759-28-6) → befuraline (41717-30-0)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; 3-hydroxy-3,4-dihydrobenzotriazine-4-one; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.bmcl.2010.01.050

Reference yield:

→ befuraline (41717-30-0)

Guidance literature:

N-Benzylpiperazin, Cumaron-2-carbonsaeurechlorid;

Reference yield: 81.0%

befuraline (41717-30-0) → N-((benzofuran-2-yl)methyl)-N'-benzylpiperazine

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.1016/S0223-5234(00)00113-6

upstream raw materials:

Benzofuran-2-carboxylic acid

1-phenylmethylpiperazine

Refernces