(S)-Albuterol

Base Information

• Chemical Name: (S)-Albuterol
• CAS No.: 34271-50-6
• Molecular Formula: C₁₃H₂₁NO₃
• Molecular Weight: 239.315
• DSSTox Substance ID: DTXSID001317232
• Nikkaji Number: J428.073C
• Wikidata: Q93346990
• ChEMBL ID: CHEMBL69073
• Mol file: 34271-50-6.mol

Synonyms:(S)-ALBUTEROL;S-(+)-ALBUTEROL;34271-50-6;(s)-salbutamol;(+)-Salbutamol;(+)-Albuterol;4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;CHEMBL69073;SCHEMBL5881204;DTXSID001317232;EN300-18535926

Chemical Property of (S)-Albuterol

Chemical Property:

• Vapor Pressure: 2.78E-08mmHg at 25°C
• Boiling Point: 433.5°Cat760mmHg
• PKA: 9.99±0.31(Predicted)
• Flash Point: 159.5°C
• PSA: 72.72000
• Density: 1.152g/cm³
• LogP: 1.69690
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 239.15214353
• Heavy Atom Count: 17
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

S-(+)-ALBUTEROL 95.00% ^*data from reagent 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
• Isomeric SMILES: CC(C)(C)NC[C@H](C1=CC(=C(C=C1)O)CO)O

Technology Process of (S)-Albuterol

There total 61 articles about (S)-Albuterol 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: 99.0%

(R)-2-(N-tert-butylamino)-1-(2,2-dimethyl-4H-benzo[3,4-e]1,3-dioxin-6-yl)ethanol (238762-31-7) → Levalbuterol (34391-04-3,34271-50-6)

Guidance literature:

With sulfuric acid; In methanol; at 21 ℃;

Reference yield: 92.5%

(R)-α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol D-dibenzoyltartrate (348135-26-2) → Levalbuterol (34391-04-3,34271-50-6)

Guidance literature:

With hydrogenchloride; In methanol; ethyl acetate; at -2 - 2 ℃; for 1.25h; Product distribution / selectivity;

Reference yield: 92.3%

methanol (67-56-1) + (R)-α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol D-dibenzoyltartrate (348135-26-2) → N-(tert-butyl)-2-methoxy-2-(4-hydroxy-3-(hydroxymethyl)phen-1-yl)-ethanamine (870076-72-5) + SLB-OMe prim (18910-70-8) + Levalbuterol (34391-04-3,34271-50-6)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at -2 - 2 ℃; for 1.25 - 2h; Product distribution / selectivity;

upstream raw materials:

5-(2-tert-Butylamino-acetyl)-2-hydroxy-benzaldehyde

α-[(benzyl-tert-butylamino)methyl]-m-xylene-4,α,α'-triol

salicylaldehyde

5-(Chloroacetyl)-2-hydroxybenzaldehyde

Downstream raw materials:

(+/-)-albuterol tri(trimethylsilyl)ether

2-(tert-butylamino)-1-(2,2-dimethyl-4H-benzo[d][1,3]dioxan-6-yl)ethanol

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

4-[2-(tert-butylamino)-1-hydroxyethyl]-2-nitrophenol

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