Velnacrine

Base Information

• Chemical Name: Velnacrine
• CAS No.: 124027-47-0
• Deprecated CAS: 112964-98-4,104675-29-8,121445-17-8
• Molecular Formula: C₁₃H₁₄N₂O
• Molecular Weight: 214.267
• UNII: OQL6V4U301,Y2P6NV151K,JFN3Z63E2C
• DSSTox Substance ID: DTXSID4046945
• Nikkaji Number: J344.576C
• Wikidata: Q27163788
• NCI Thesaurus Code: C96773
• Pharos Ligand ID: TFQYAHXGKT3A
• Metabolomics Workbench ID: 49723
• ChEMBL ID: CHEMBL51934
• Mol file: 124027-47-0.mol

Synonyms:1,2,3,4-tetrahydro-9-aminoacridin-1-ol maleate;1,2,3,4-tetrahydro-9-aminoacridine-1-ol;1-hydroxytacrine;9-amino-1,2,3,4-tetrahydroacridin-1-ol;9-ATHCO;HP 029;HP-029;velnacrine;velnacrine maleate

Chemical Property of Velnacrine

Chemical Property:

• Melting Point: 245℃
• Boiling Point: 450.3°Cat760mmHg
• Flash Point: 226.1°C
• PSA: 59.14000
• Density: 1.315g/cm³
• LogP: 2.76790
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 214.110613074
• Heavy Atom Count: 16
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

Velnacrine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(C2=C(C3=CC=CC=C3N=C2C1)N)O

Technology Process of Velnacrine

There total 8 articles about Velnacrine 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: 90.6%

→ velnacrine (112964-98-4,104675-29-8,124027-47-0)

Guidance literature:

Reference yield: 82.0%

9-Amino-1,2,3,4-tetrahydroacridin-1-one (104675-26-5) → velnacrine (112964-98-4,104675-29-8,124027-47-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; for 2h;

DOI:10.1021/jm00128a024

Reference yield:

3,4-dihydroacridin-1(2H)-one hydrochloride + isopropyl alcohol (67-63-0,8013-70-5) → velnacrine (112964-98-4,104675-29-8,124027-47-0)

Guidance literature:

With hydrogenchloride; sodium borohydrid; acetic acid; In sodium hydroxide; water;

upstream raw materials:

9-Amino-1,2,3,4-tetrahydroacridin-1-one

tacrine monohydrochloride

1,3-cylohexanedione

N-(3-oxocyclohexen-1-yl)-2-aminobenzonitrile

Refernces

• 1、 Kukan,Bezek,Pool,Woolf. "Metabolic disposition of tacrine in primary suspensions of rat hepatocyte and in single-pass perfused liver: In vitro/in vivo comparisons". . p. 1107 - 1117. Retrieved 2007/10/03.
• 2、 -. "Method of reducing a carbonyl containing acridine". . . Retrieved 2008/06/13.