Levomoprolol

Base Information

• Chemical Name: Levomoprolol
• CAS No.: 77164-20-6
• Molecular Formula: C13H21 N O3
• Molecular Weight: 239.315
• Hs Code.: 2922509090
• UNII: K4NON6FSON
• DSSTox Substance ID: DTXSID301016500
• Nikkaji Number: J1.143.830J
• Wikipedia: Levomoprolol
• Wikidata: Q15634010
• NCI Thesaurus Code: C83877
• ChEMBL ID: CHEMBL2106030
• Mol file: 77164-20-6.mol

Synonyms:1-(o-methoxyphenoxy)-3-isopropylamino-2-propanol;levomoprolol;moprolol;moprolol, (+)-isomer;moprolol, (+-)-isomer;moprolol, (-)-isomer;moprolol, hydrochloride, (+)-isomer;moprolol, hydrochloride, (-)-isomer;moprolol, monohydrochloride;SD 1601

Chemical Property of Levomoprolol

Chemical Property:

• Vapor Pressure: 1.99E-06mmHg at 25°C
• Melting Point: 78-80°
• Boiling Point: 379.2°C at 760 mmHg
• Flash Point: 183.2°C
• PSA: 50.72000
• Density: 1.054g/cm³
• LogP: 1.82380
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 239.15214353
• Heavy Atom Count: 17
• Complexity: 199

Purity/Quality:

95% ^*data from raw suppliers

Levomoprolol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NCC(COC1=CC=CC=C1OC)O
• Isomeric SMILES: CC(C)NC[C@@H](COC1=CC=CC=C1OC)O

Technology Process of Levomoprolol

There total 26 articles about Levomoprolol 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: 100.0%

(S)-1-(Benzyl-isopropyl-amino)-3-(2-methoxy-phenoxy)-propan-2-ol (247033-02-9) → (2S)-1-(isopropylamino)-3-(2-methoxyphenoxy)propan-2-ol (77164-20-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 25 ℃; for 24h; under 3040 Torr;

DOI:10.1016/S0957-4166(99)00248-7

Reference yield: 98.0%

(S)-1,2-epoxy-3-(2-methoxyphenyloxy)-propane (61248-99-5) + isopropylamine (75-31-0) → (2S)-1-(isopropylamino)-3-(2-methoxyphenoxy)propan-2-ol (77164-20-6)

Guidance literature:

In water; for 1h; Heating;

DOI:10.1016/j.tet.2005.01.074

Reference yield:

2-methoxy-phenol (90-05-1) → (2S)-1-(isopropylamino)-3-(2-methoxyphenoxy)propan-2-ol (77164-20-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaOH / ethanol; H₂O / Heating

1.2: 63 percent / ethanol; H₂O / Heating

2.1: SOCl₂ / CH₂Cl₂ / 1 h / 0 °C

2.2: dimethylformamide / 45 h / 60 - 70 °C

With sodium hydroxide; thionyl chloride; In ethanol; dichloromethane; water;

DOI:10.1016/j.tetasy.2006.10.027

upstream raw materials:

(S)-1,2-epoxy-3-(2-methoxyphenyloxy)-propane

isopropylamine

2-(2-methoxy-phenoxymethyl)-oxirane

(S)-1-(Benzyl-isopropyl-amino)-3-(2-methoxy-phenoxy)-propan-2-ol