Falintolol

Base Information

• Chemical Name: Falintolol
• CAS No.: 90581-63-8
• Molecular Formula: C₁₂H₂₄N₂O₂
• Molecular Weight: 228.335
• UNII: L7NSQ961ZC
• DSSTox Substance ID: DTXSID301024755
• Wikipedia: Falintolol
• Wikidata: Q27269342
• NCI Thesaurus Code: C73016
• ChEMBL ID: CHEMBL111103
• Mol file: 90581-63-8.mol

Synonyms:falintolol;falintolol oxalate, anti-(R);falintolol oxalate, anti-(S);falintolol oxalate, syn(R);falintolol oxalate, syn-(S);falintolol, anti-(S);falintolol, syn-(R);falintolol, syn-(S);O-(3-(tert-butylamino)-2-hydroxypropyl)cyclopropyl methyl ketone oxime

Chemical Property of Falintolol

Chemical Property:

• PSA: 53.85000
• LogP: 1.92880
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 228.183778013
• Heavy Atom Count: 16
• Complexity: 242

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NOCC(CNC(C)(C)C)O)C1CC1
• Isomeric SMILES: C/C(=N\OCC(CNC(C)(C)C)O)/C1CC1

Technology Process of Falintolol

There total 3 articles about Falintolol 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:

cyclopropyl methyl ketone oxime (51761-72-9) → Falintolol (88134-91-2,90581-63-8,96479-87-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH / tetrahydrofuran / 48 h / Ambient temperature

2: ethanol / 24 h / Ambient temperature

With sodium hydride; In tetrahydrofuran; ethanol;

DOI:10.1021/jm00376a011

Reference yield:

Cyclopropyl methyl ketone (765-43-5) + 1-aminooxy-3-[(1,1-dimethyl-ethyl)-amino]-2-hydroxy-propane (67435-25-0,137434-89-0,137434-91-4) → Falintolol (88134-91-2,90581-63-8,96479-87-7)

Guidance literature:

In ethanol; for 12h; Yield given; Heating;

DOI:10.1021/jm00145a008

Reference yield:

1-Cyclopropyl-ethanone O-oxiranylmethyl-oxime (88135-05-1) + tert-butylamine (75-64-9) → Falintolol (88134-91-2,90581-63-8,96479-87-7)

Guidance literature:

In ethanol; for 24h; Yield given; Ambient temperature;

DOI:10.1021/jm00376a011

upstream raw materials:

Cyclopropyl methyl ketone

1-aminooxy-3-[(1,1-dimethyl-ethyl)-amino]-2-hydroxy-propane

1-Cyclopropyl-ethanone O-oxiranylmethyl-oxime

tert-butylamine

Downstream raw materials:

-1 cyclopropyl-1 ethane

-1 cyclopropyl-1 ethane

-1 cyclopropyl-1 ethane

benzyloxy-2-(N-t-butyl-N-t-butylaminoacetyl)amino-3 propanol-1

Refernces

• 1、 Bouzoubaa, Mohamed,Leclerc, Gerard,Decker, Nicole,Schwartz, Jean,Andermann, Guy. "Synthesis and β-Adrenergic Blocking Activity of New Aliphatic and Alicyclic Oxime Ethers". . p. 1291 - 1294. Retrieved 2007/10/02.