Esmolol isopropyl amine

Base Information

• Chemical Name: Esmolol isopropyl amine
• CAS No.: 83356-59-6
• Molecular Formula: C₁₈H₃₀N₂O₃
• Molecular Weight: 322.448
• UNII: ZE8A4K8TRB
• ChEMBL ID: CHEMBL31768
• Mol file: 83356-59-6.mol

Synonyms:Esmolol isopropyl amine;83356-59-6;CHEMBL31768;ZE8A4K8TRB;BDBM50404812;3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)-N-(propan-2-yl)propanamide;4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]-N-(1-methylethyl)benzenepropanamide;Benzenepropanamide, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-N-(1-methylethyl)-

Chemical Property of Esmolol isopropyl amine

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 322.22564282
• Heavy Atom Count: 23
• Complexity: 326

Purity/Quality:

NLT 98% ^*data from raw suppliers

EsmololIsopropylAmine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)NC(C)C)O
• Uses: Esmolol Isopropyl Amine is an impurity of esmolol (E668000), which is a cardioselective β-adrenergic blocker. Antiarrhythmic.

Technology Process of Esmolol isopropyl amine

There total 1 articles about Esmolol isopropyl amine 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: 62.0%

esmolol hydrochloride (81161-17-3) + isopropylamine (75-31-0) → N-isopropyl-3-<4-<2-hydroxy-3-(isopropylamino)propoxy>phenyl>propionamide (83356-59-6)

Guidance literature:

for 168h; Heating;

DOI:10.1021/jm00354a003

upstream raw materials:

esmolol hydrochloride

isopropylamine

Refernces