Bevantolol

Base Information

• Chemical Name: Bevantolol
• CAS No.: 59170-23-9
• Molecular Formula: C20H27 N O4
• Molecular Weight: 345.439
• Hs Code.: 2922299090
• NSC Number: 132348
• UNII: 34ZXW6ZV21
• DSSTox Substance ID: DTXSID70860597
• Nikkaji Number: J12.450H
• Wikipedia: Bevantolol
• Wikidata: Q1956953
• NCI Thesaurus Code: C79556
• Pharos Ligand ID: SQPGC4NQKV5B
• Metabolomics Workbench ID: 145999
• ChEMBL ID: CHEMBL314010
• Mol file: 59170-23-9.mol

Synonyms:bevantolol;bevantolol hydrochloride;CI 775;CI-775

Chemical Property of Bevantolol

Chemical Property:

• Vapor Pressure: 1.44E-11mmHg at 25°C
• Boiling Point: 518.3°C at 760 mmHg
• Flash Point: 267.3°C
• PSA: 59.95000
• Density: 1.11g/cm³
• LogP: 2.97510
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 345.19400834
• Heavy Atom Count: 25
• Complexity: 355

Purity/Quality:

99% ^*data from raw suppliers

Bevantolol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O
• Recent EU Clinical Trials: Phase IIb, randomized, double-blind, placebo-controlled study in parallel groups assessing the efficacy and safety of two doses of SOM3355 in patients suffering from Huntington’s Disease with choreic movements.

Technology Process of Bevantolol

There total 5 articles about Bevantolol 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: 24.0%

m-tolyl glycidyl ether (2186-25-6) + 2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) → bevantolol (59170-23-9,135531-40-7)

Guidance literature:

With ethanol; at 20 ℃;

Reference yield:

1-chloro-3-(3-methylphenoxy)-2-propanol (42865-04-3) → bevantolol (59170-23-9,135531-40-7)

Guidance literature:

In ethyl acetate;

Reference yield:

m-tolyl glycidyl ether (2186-25-6) + sodium carbonate (Na2 CO3) + 2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) → bevantolol (59170-23-9,135531-40-7)

Guidance literature:

In acetonitrile;

upstream raw materials:

m-tolyl glycidyl ether

2-(3,4-dimethoxyphenyl)-ethylamine

1-chloro-3-(3-methylphenoxy)-2-propanol

3-methyl-phenol

Downstream raw materials:

1-[[2-(3,4-Dimethoxyphenyl)-ethyl]-(4-fluorobenzyl)amino]-3-m-tolyloxy-propan-2-ol, oxalate

Refernces

• 1、 -. "THERAPY FOR COMPLICATIONS OF DIABETES". . . Retrieved 2009/07/02.
• 2、 -. "Method for treating resistant hypertension". . . Retrieved 2008/06/13.