N-Nitrosopropranolol

Base Information

• Chemical Name: N-Nitrosopropranolol
• CAS No.: 84418-35-9
• Molecular Formula: C16H20 N2 O3
• Molecular Weight: 0
• Hs Code.: 2928000090
• European Community (EC) Number: 859-223-4
• DSSTox Substance ID: DTXSID301004684
• Nikkaji Number: J393.492F
• ChEMBL ID: CHEMBL143513
• Mol file: 84418-35-9.mol

Synonyms:N-nitrosopropranolol

Chemical Property of N-Nitrosopropranolol

Chemical Property:

• Vapor Pressure: 1.21E-11mmHg at 25°C
• Boiling Point: 520.1°C at 760 mmHg
• Flash Point: 268.3°C
• PSA: 62.13000
• Density: 1.16g/cm³
• LogP: 2.97130
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 288.14739250
• Heavy Atom Count: 21
• Complexity: 325

Purity/Quality:

99% ^*data from raw suppliers

N-NITROSOPROPRANOLOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N(CC(COC1=CC=CC2=CC=CC=C21)O)N=O
• Uses: N-Nitrosopropranolol is an N-nitroso derivative of rac-Propanolol (P840013), which is a β?Adrenergic blocker. Antihypertensive; antianginal; antiarrhythmic (class II). N-Nitrosopropranolol can be used for humidity control.

Technology Process of N-Nitrosopropranolol

There total 2 articles about N-Nitrosopropranolol 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: 82.0%

Inderal (318-98-9) → N-nitrosopropranolol (84418-35-9)

Guidance literature:

With hydrogenchloride; sodium nitrite; at 50 ℃; for 2h;

Reference yield:

propranolol (525-66-6) → N-nitrosopropranolol (84418-35-9)

Guidance literature:

With hydrogenchloride; NaNO₂; In water monomer; at 37 ℃; for 4h; pH=3 - 4;

DOI:10.1002/ardp.202100435

upstream raw materials:

Inderal

propranolol

Refernces

• 1、 Mazzei,Sottofattori,Balbi,Robbiano. "Synthesis and HPLC assessment of N-nitrosoderivatives from six β-adrenergic antagonists". . p. 1043 - 1049. Retrieved 2007/10/02.