(S)-Mabuterol

Base Information

• Chemical Name: (S)-Mabuterol
• CAS No.: 56707-25-6
• Molecular Formula: C13H18ClF3N2O
• Molecular Weight: 310.74
• UNII: 2155V0G43V
• Wikidata: Q27253516
• Mol file: 56707-25-6.mol

Synonyms:(S)-Mabuterol;D-Mabuterol;(+)-Mabuterol;Mabuterol, (S)-;(S)-(+)-Mabuterol;2155V0G43V;UNII-2155V0G43V;56707-25-6;Benzenemethanol, 4-amino-3-chloro-alpha-(((1,1-dimethylethyl)amino)methyl)-5-(trifluoromethyl)-, (alphaS)-;PD132489;Q27253516;BENZENEMETHANOL, 4-AMINO-3-CHLORO-.ALPHA.-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-5-(TRIFLUOROMETHYL)-, (.ALPHA.S)-

Chemical Property of (S)-Mabuterol

Chemical Property:

• PSA: 58.28000
• LogP: 4.33460
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 310.1059754
• Heavy Atom Count: 20
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O
• Isomeric SMILES: CC(C)(C)NC[C@H](C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O

Technology Process of (S)-Mabuterol

There total 20 articles about (S)-Mabuterol 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: 28.0%

methanol (67-56-1) + d-1-(4-amino-3-chloro-5-trifluoromethyl-phenyl)-2-tert.-butylamino-O-<(-)-menthoxy-carbonyl>-ethanol → 1-(4-amino-3-chloro-5-trifluoromethyl-phenyl)-2-tert.-butylamino-O-methyl-ethanol + d-1-(4-amino-3-chloro-5-trifluoromethyl-phenyl)-2-tert.-butylamino-ethanol (56707-24-5,56707-26-7,56707-25-6)

Guidance literature:

In methanol; at 20 ℃; for 65h;

Reference yield:

d-1-(4'-amino-3'-chloro-5'-trifluoromethyl-phenyl)-2-tert.butylamino-O-[(-)-menthoxy-carbonyl]-ethanol → mabuterol (56341-08-3,56707-24-5,56707-26-7,56707-25-6)

Guidance literature:

With hydrogenchloride; In methanol; ethyl acetate;

Reference yield:

4'-amino-3'-chloro-5'-trifluoromethyl-2-tert.-butylamino-acetophenone hydrochloride → mabuterol (56341-08-3,56707-24-5,56707-26-7,56707-25-6)

Guidance literature:

With sodium tetrahydroborate; In methanol; at -15 - -5 ℃;

upstream raw materials:

4'-amino-3'-chloro-5'-trifluoromethyl-2-tert.-butylamino-acetophenone

4'-amino-3'-chloro-5'-trifluoromethyl-acetophenone

1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethanone

methanol

Downstream raw materials:

d-1-(4-amino-3-chloro-5-trifluoromethyl-phenyl)-2-tert.-butylamino-ethanol

(S)-mabuterol

(R)-mabuterol