S-(-)-Bisoprolol

Base Information

• Chemical Name: S-(-)-Bisoprolol
• CAS No.: 99103-03-4
• Molecular Formula: C18H31 N O4
• Molecular Weight: 325.448
• Hs Code.: 2922509090
• UNII: N0P2X2L8U0
• DSSTox Substance ID: DTXSID30872934
• Nikkaji Number: J245.722I
• Wikidata: Q27284353
• Mol file: 99103-03-4.mol

Synonyms:S-(-)-Bisoprolol;(s)-bisoprolol;Bisoprolol, (S)-;(-)-bisoprolol;99103-03-4;S(-)-Bisoprolol;N0P2X2L8U0;S-(-)-Bisoprolol Fumarate;UNII-N0P2X2L8U0;(2S)-1-(4-((2-(1-Methylethoxy)ethoxy)methyl)phenoxy)-3-((1-methylethyl)amino)-2-propanol;2-Propanol, 1-(4-((2-(1-methylethoxy)ethoxy)methyl)phenoxy)-3-((1-methylethyl)amino)-, (2S)-;2-Propanol, 1-(4-((2-(1-methylethoxy)ethoxy)methyl)phenoxy)-3-((1-methylethyl)amino)-, (S)-;(2S)-1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol;(?)-Bisoprolol;SCHEMBL20961;DTXSID30872934;HY-139727;CS-0254412;A13406;Q27284353

Chemical Property of S-(-)-Bisoprolol

Chemical Property:

• PSA: 59.95000
• LogP: 2.75680
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 325.22530847
• Heavy Atom Count: 23
• Complexity: 278

Purity/Quality:

98%Min ^*data from raw suppliers

S-(-)-BISOPROLOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O
• Isomeric SMILES: CC(C)NC[C@@H](COC1=CC=C(C=C1)COCCOC(C)C)O

Technology Process of S-(-)-Bisoprolol

There total 8 articles about S-(-)-Bisoprolol 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: 97.2%

isopropylamine (75-31-0) + (S)-2-((4-((2-isopropoxyethoxy)methyl)phenoxy)methyl)oxirane → (-)-Bisoprolol (99103-03-4,111051-40-2)

Guidance literature:

In methanol; at 40 - 45 ℃; for 3h;

Reference yield: 95.0%

(2S)-(+)-glycidyl 3-nitrobenzene sulfonate + 4-(2-isopropoxy-ethoxymethyl)-phenol (177034-57-0) → (-)-Bisoprolol (99103-03-4,111051-40-2)

Guidance literature:

With potassium carbonate; cesium fluoride; In water; isopropylamine; N,N-dimethyl-formamide;

Reference yield: 95.0%

→ (-)-Bisoprolol (99103-03-4,111051-40-2)

Guidance literature:

upstream raw materials:

S-oxiran-2-ylmethyl 4-nitrobenzenesulfonate

isopropylamine

4-(2-isopropoxy-ethoxymethyl)-phenol

(2s)-(+)-glycidyl 3-nitrobenzenesulfonate

Downstream raw materials:

(S)-(-)-bisoprolol hemifumarate