5-Hydroxy Propranolol

Base Information

• Chemical Name: 5-Hydroxy Propranolol
• CAS No.: 81907-82-6
• Molecular Formula: C₁₆H₂₁NO₃
• Molecular Weight: 275.348
• DSSTox Substance ID: DTXSID001314638
• Nikkaji Number: J373.681D
• ChEMBL ID: CHEMBL106159
• Mol file: 81907-82-6.mol

Synonyms:5-hydroxypropranolol

Chemical Property of 5-Hydroxy Propranolol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.602
• Boiling Point: 487.526°C at 760 mmHg
• PKA: 9.41±0.40(Predicted)
• Flash Point: 248.647°C
• PSA: 61.72000
• Density: 1.169g/cm³
• LogP: 2.67400
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 275.15214353
• Heavy Atom Count: 20
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

5-hydroxy Propranolol ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NCC(COC1=CC=CC2=C1C=CC=C2O)O

Technology Process of 5-Hydroxy Propranolol

There total 4 articles about 5-Hydroxy Propranolol 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:

Inderal (318-98-9) → 4-hydroxypropranolol (10476-53-6,69499-28-1,76792-96-6,76792-97-7) + N-desisopropylpropranolol (30200-48-7) + α-Naphthoxylactic acid (10476-54-7) + 5-Hydroxypropranolol (81907-82-6,111691-89-5)

Guidance literature:

metabolism in the isolated perfused nonfasted male Sprague-Dawley rat liver;

DOI:10.1002/jps.2600830704

Reference yield:

1-Isopropylamino-3-(5-methoxy-naphthalen-1-yloxy)-propan-2-ol → 5-Hydroxypropranolol (81907-82-6,111691-89-5)

Guidance literature:

With pyridine hydrochloride; at 155 - 180 ℃; for 5h;

DOI:10.1021/jm00135a014

Reference yield:

5-methoxynaphthalen-1-ol (3588-80-5) → 5-Hydroxypropranolol (81907-82-6,111691-89-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) Dowex-1 resin (OH form) / 1.) 90 min, 2.) 30 deg C, 72 h

2: pyridine hydrochloride / 5 h / 155 - 180 °C

With Dowex-1 resin (OH form); pyridine hydrochloride;

DOI:10.1021/jm00135a014

upstream raw materials:

Inderal

5-methoxynaphthalen-1-ol

propranolol