Ispronicline

Base Information

• Chemical Name: Ispronicline
• CAS No.: 252870-53-4
• Deprecated CAS: 482299-54-7
• Molecular Formula: C14H22 N2 O
• Molecular Weight: 234.34
• UNII: 3E05NBH9V5
• DSSTox Substance ID: DTXSID001027512
• Nikkaji Number: J3.356.514C,J3.275.346I
• Wikipedia: Ispronicline
• Wikidata: Q14664569
• NCI Thesaurus Code: C65986
• ChEMBL ID: CHEMBL188462
• Mol file: 252870-53-4.mol

Synonyms:(S)-(E)-N-methyl-5-(3-(5-isopropoxypyridinyl))-4-penten-2-amine;AZD3480;ispronicline;N-methyl-5-(3-(5-isopropoxypyridinyl))-4-penten-2-amine;TC 1734;TC-1734;TC1734

Chemical Property of Ispronicline

Chemical Property:

• Boiling Point: bp0.5 90-100°
• PKA: 10.03±0.10(Predicted)
• PSA: 34.15000
• Density: 0.977±0.06 g/cm3(Predicted)
• LogP: 3.27090
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 234.173213330
• Heavy Atom Count: 17
• Complexity: 228

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CN=CC(=C1)C=CCC(C)NC
• Isomeric SMILES: C[C@@H](C/C=C/C1=CC(=CN=C1)OC(C)C)NC
• Recent ClinicalTrials: Efficacy, Safety, & Tolerability of AZD3480 Patients With Mild to Moderate Dementia of the Alzheimer's Type (AD)
• Recent EU Clinical Trials: A Multi-centre, Double-blind, Double-Dummy, Placebo-controlled, Parallel
• Uses: Treatment of cognitive and memory disorders (neuronal nicotinic receptor partial agonist).

Technology Process of Ispronicline

There total 8 articles about Ispronicline 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:

(2R)-(4E)-5-(5-isopropoxy-pyridin-3-yl)-4-penten-2-ol (252870-91-0) + p-toluenesulfonyl chloride (98-59-9) → (2S,4E)-N-methyl-5-(5-isopropoxy-3-pyridyl)-4-penten-2-amine (252870-53-4)

Guidance literature:

With sodium hydrogencarbonate; In pyridine; toluene;

Reference yield:

(2R)-(4E)-5-(5-isopropoxy-pyridin-3-yl)-4-penten-2-ol p-toluenesulfonate + ethanol (64-17-5) → (2S,4E)-N-methyl-5-(5-isopropoxy-3-pyridyl)-4-penten-2-amine (252870-53-4)

Guidance literature:

With methylamine; In water;

Reference yield:

(2R)-(4E)-5-(5-isopropoxy-pyridin-3-yl)-4-penten-2-ol (252870-91-0) + ethanol (64-17-5) → (2S,4E)-N-methyl-5-(5-isopropoxy-3-pyridyl)-4-penten-2-amine (252870-53-4)

Guidance literature:

With methylamine; In water;

upstream raw materials:

(2R)-(4E)-5-(5-isopropoxy-pyridin-3-yl)-4-penten-2-ol

p-toluenesulfonyl chloride

ethanol

(2S)-(4E)-N-methyl-N-(tert-butoxycarbonyl)-5-[3-(5-isopropoxypyridin)yl]-4-penten-2-amine

Downstream raw materials:

R-mandelic acid salt of (2S)-(4E)-N-methyl-5-[5-isopropoxypyridin-3-yl]-4-penten-2-amine

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