Delucemine

Base Information

• Chemical Name: Delucemine
• CAS No.: 186495-49-8
• Molecular Formula: C16H17F2N
• Molecular Weight: 261.3097
• UNII: 124LSR3H2X
• DSSTox Substance ID: DTXSID20171908
• Nikkaji Number: J1.425.986D
• Wikipedia: Delucemine
• Wikidata: Q5254886
• NCI Thesaurus Code: C76776
• ChEMBL ID: CHEMBL2110814
• Mol file: 186495-49-8.mol

Synonyms:Delucemine;186495-49-8;Delucemine [INN];3,3-Bis(3-fluorophenyl)-N-methylpropan-1-amine;UNII-124LSR3H2X;124LSR3H2X;3,3-Bis(3-Fluorophenyl)-N-Methyl-Propan-1-Amine;D0MF9H;SCHEMBL678708;CHEMBL2110814;C16H17F2N;DTXSID20171908;C16-H17-F2-N;[3,3-bis(3-fluorophenyl)propyl](methyl)amine;Q5254886;BENZENEPROPANAMINE, 3-FLUORO-.GAMMA.-(3-FLUOROPHENYL)-N-METHYL-

Chemical Property of Delucemine

Chemical Property:

• Vapor Pressure: 5.94E-05mmHg at 25°C
• Boiling Point: 346°Cat760mmHg
• Flash Point: 163°C
• Density: 1.105g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 261.13290587
• Heavy Atom Count: 19
• Complexity: 237

Purity/Quality:

DELUCEMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCC(C1=CC(=CC=C1)F)C2=CC(=CC=C2)F
• Uses: Neuroprotection (NMDA receptor antagonist).

Technology Process of Delucemine

There total 2 articles about Delucemine 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: 81.0%

(1S,4R)-2-[3,3-Bis-(3-fluoro-phenyl)-propyl]-2-aza-bicyclo[2.2.1]hept-5-ene → Delucemine (186495-49-8)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In chloroform; at 20 ℃; for 72h;

DOI:10.1248/bpb.26.1570

Reference yield:

3-fluoro-γ-(3-fluorophenyl)benzenepropanamine hydrochloride → Delucemine (186495-49-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / methanol; H₂O / 66 h

2: 81 percent / trifluroacetic acid; triethylsilane / CHCl₃ / 72 h / 20 °C

With triethylsilane; trifluoroacetic acid; In methanol; chloroform; water;

DOI:10.1248/bpb.26.1570

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