Esmolol

Base Information

• Chemical Name: Esmolol
• CAS No.: 103598-03-4
• Molecular Formula: C₁₆H₂₅NO₄
• Molecular Weight: 295.379
• Mol file: 103598-03-4.mol

Synonyms:Methyl 3-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]propionate;

Chemical Property of Esmolol

Chemical Property:

• Appearance/Colour: white or off-white crystalline powder
• Vapor Pressure: 3.62E-08mmHg at 25°C
• Melting Point: 48-50 °C
• Boiling Point: 430.2 °C at 760 mmHg
• Flash Point: 214 °C
• PSA: 67.79000
• Density: 1.084 g/cm³
• LogP: 1.92080
• Water Solubility.: Slightly soluble

Purity/Quality:

99% ^*data from raw suppliers

ESMOLOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Anti-adrenergic (β-receptor).

Technology Process of Esmolol

There total 13 articles about Esmolol 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: 80.0%

methyl (S)-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate (112805-58-0,246219-23-8) + isopropylamine (75-31-0) → methyl (S)-3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propanoate (115729-56-1,84057-94-3,103598-03-4)

Guidance literature:

In water; for 5h; Reflux;

DOI:10.1080/00397911.2010.488495

Reference yield: 79.0%

methyl 3-<4-(2,3-epoxypropoxy)phenyl>propionate (81147-94-6,246219-23-8) + isopropylamine (75-31-0) → esmolol (81147-92-4,84057-94-3,103598-03-4)

Guidance literature:

In methanol; for 8h; Reflux; Schlenk technique; Sealed tube; Inert atmosphere;

DOI:10.1021/ol500745t

Reference yield:

4-hydroxyphenylpropionic acid (501-97-3) → esmolol (81147-92-4,84057-94-3,103598-03-4)

Guidance literature:

Multi-step reaction with 3 steps

1: conc. H₂SO₄, 3A molecular sieves / 72 h / Heating

2: 44 percent / K₂CO₃ / acetone / 20 h / Heating

3: methanol / 4 h / Heating

With 3 A molecular sieve; sulfuric acid; potassium carbonate; In methanol; acetone;

DOI:10.1021/jm00354a003

upstream raw materials:

methyl 3-<4-(2,3-epoxypropoxy)phenyl>propionate

isopropylamine

4-hydroxyphenylpropionic acid

3-(4-hydroxyphenyl)propionic acid methyl ester

Downstream raw materials:

methyl (S)-3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propanoate

esmolol

Refernces

• 1、 Xu, Shujuan,Wang, Yuying,Tang, Yixia,Ji, Yibing. "A protein-based mixed selector chiral monolithic stationary phase in capillary electrochromatography". . p. 13520 - 13528. Retrieved 2018/08/21.
• 2、 Narsaiah, A. Venkat,Kumar, J. Kranthi. "Novel asymmetric synthesis of (S)-esmolol using hydrolytic kinetic resolution". experimental part. p. 1603 - 1608. Retrieved 2011/06/27.