Levalbuterol sulfate

Base Information

• Chemical Name: Levalbuterol sulfate
• CAS No.: 148563-16-0
• Molecular Formula: 2C₁₃H₂₁NO₃*H₂O₄S
• Molecular Weight: 576.709
• UNII: 71TH42O2CQ
• ChEMBL ID: CHEMBL3989589
• NCI Thesaurus Code: C83873
• Wikidata: Q27265986
• Mol file: 148563-16-0.mol

Synonyms:Levalbuterol sulfate;148563-16-0;Levalbuterol sulfate [USAN];UNII-71TH42O2CQ;Levalbuterol sulphate;71TH42O2CQ;Levosalbutamol sulfate;4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid;(R)-Alpha-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol sulfate (2:1);(R)-alpha(sup 1)-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol sulfate (2:1);CHEMBL3989589;LEVOSALBUTAMOL SULFATE [MART.];LEVOSALBUTAMOL SULFATE [WHO-DD];Q27265986;(R)-.ALPHA.(SUP 1)-((TERT-BUTYLAMINO)METHYL)-4-HYDROXY-M-XYLENE-.ALPHA.,.ALPHA.'-DIOL SULFATE (2:1);(R)-.ALPHA.(SUP 1)-((TERT-BUTYLAMINO)METHYL)-4-HYDROXY-M-XYLENE-.ALPHA.,.ALPHA.'-DIOL SULPHATE (2:1)

Chemical Property of Levalbuterol sulfate

Chemical Property:

• Boiling Point: 433.5 °C at 760 mmHg
• Flash Point: 159.5 °C
• PSA: 72.72000
• Density: 1.152 g/cm³
• LogP: 2.49890
• Storage Temp.: -20°C Freezer
• Solubility.: Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 576.27166678
• Heavy Atom Count: 39
• Complexity: 309

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O
• Isomeric SMILES: CC(C)(C)NC[C@@H](C1=CC(=C(C=C1)O)CO)O.CC(C)(C)NC[C@@H](C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O
• Uses: Bronchodilator; asthma prophylactic.

Technology Process of Levalbuterol sulfate

There total 2 articles about Levalbuterol sulfate 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: 90.0%

R-salbutamol*pivalic acid → salbutamol sulfate (34245-12-0,36519-31-0,39971-61-4,51022-70-9,65143-06-8,148563-15-9,148563-16-0,324000-05-7,324000-04-6)

Guidance literature:

With sulfuric acid; In methanol; for 0.5h;

Reference yield:

→ salbutamol sulfate (34245-12-0,36519-31-0,39971-61-4,51022-70-9,65143-06-8,148563-15-9,148563-16-0,324000-05-7,324000-04-6)

Guidance literature:

Reference yield:

salbutamol sulfate (34245-12-0,36519-31-0,39971-61-4,51022-70-9,65143-06-8,148563-15-9,148563-16-0,324000-05-7,324000-04-6) + propranolol (525-66-6) → (R)-2-tert-butylamino-1-(4-hydroxy-2-hydroxymethyl-phenyl)ethanol (324000-05-7,324000-04-6) + (S)-2-tert-butylamino-1-(4-hydroxy-2-hydroxymethyl-phenyl)ethanol (324000-05-7,324000-04-6) + (S)-1-isopropylamino-3-(1-naphthyloxy)-2-propanol (4199-09-1) + (R)-propranolol (525-66-6,4199-09-1,5051-22-9,13013-17-7)

Guidance literature:

With ammonium hydroxide; trifluoroacetic acid; In methanol; water; at 30 ℃; pH=4.1; Solvent; pH-value; Resolution of racemate;

DOI:10.1002/chir.22154

Downstream raw materials:

(R)-2-tert-butylamino-1-(4-hydroxy-2-hydroxymethyl-phenyl)ethanol

(S)-2-tert-butylamino-1-(4-hydroxy-2-hydroxymethyl-phenyl)ethanol

(S)-1-isopropylamino-3-(1-naphthyloxy)-2-propanol

(R)-propranolol