Metaterol

Base Information

• Chemical Name: Metaterol
• CAS No.: 3571-71-9
• Molecular Formula: C11H17 N O2
• Molecular Weight: 195.261
• Hs Code.: 2922509090
• European Community (EC) Number: 222-678-9
• UNII: KBU4V9QUHY
• DSSTox Substance ID: DTXSID10863209
• Nikkaji Number: J8.163I
• Wikipedia: Metaterol
• Wikidata: Q6823271
• NCI Thesaurus Code: C87579
• ChEMBL ID: CHEMBL327122
• Mol file: 3571-71-9.mol

Synonyms:Metaterol;3571-71-9;Isopropylnoradrianol;Metaterol [INN];Metaterolum [Latin];Metaterolum;Metaterolum [INN-Latin];EINECS 222-678-9;KBU4V9QUHY;UNII-KBU4V9QUHY;BRN 2805325;3-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenol;m-Hydroxy-alpha-(isopropylaminomethyl)benzyl alcohol;3-Hydroxy-alpha-((isopropylamino)methyl)benzylalkohol;S 40045-9;Benzenemethanol, 3-hydroxy-alpha-(((1-methylethyl)amino)methyl)-;4-13-00-02654 (Beilstein Handbook Reference);m-Hydroxy-alpha-((isopropylamino)methyl)benzyl alcohol;BENZYL ALCOHOL, m-HYDROXY-alpha-((ISOPROPYLAMINO)METHYL)-;Benzenemethanol, 3-hydroxy-alpha-(((1-methylethyl)amino)methyl)- (9CI);3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol;SCHEMBL249460;CHEMBL327122;BDBM92679;DTXSID10863209;AKOS006273701;LS-43015;1-(3-hydroxyphenyl)-2-isopropylaminoethanol;EN300-4274955;Q6823271;3-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenol, 7;Z1198155517;Benzyl alcohol, m-hydroxy-.alpha.-[(isopropylamino)methyl]-;Benzenemethanol, 3-hydroxy-.alpha.-[[(1-methylethyl)amino]methyl]-;M-HYDROXY-.ALPHA.-((ISOPROPYLAMINO)METHYL)BENZYL ALCOHOL

Chemical Property of Metaterol

Chemical Property:

• Vapor Pressure: 1.11E-05mmHg at 25°C
• Boiling Point: 355.9°Cat760mmHg
• Flash Point: 143°C
• PSA: 52.49000
• Density: 1.099g/cm³
• LogP: 1.81450
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 195.125928785
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

3-[1-HYDROXY-2-(PROPAN-2-YLAMINO)ETHYL]PHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NCC(C1=CC(=CC=C1)O)O

Technology Process of Metaterol

There total 14 articles about Metaterol 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:

1-(3-(benzyloxy)phenyl)-2-bromoethanone (19381-40-9) → m-hydroxy-α-[(isopropylamino)methyl]benzyl alcohol (3571-71-9)

Guidance literature:

Multi-step reaction with 3 steps

1: dioxane / 16 h / Ambient temperature

2: NaBH₄ / ethanol / 0.5 h

3: H₂, AcOH / 30percent Pd/C / 1.5 h

With sodium tetrahydroborate; hydrogen; acetic acid; palladium on activated charcoal; In 1,4-dioxane; ethanol;

DOI:10.1021/jm00135a015

Reference yield:

2-(Benzyl-isopropyl-amino)-1-(3-benzyloxy-phenyl)-ethanone → m-hydroxy-α-[(isopropylamino)methyl]benzyl alcohol (3571-71-9)

Guidance literature:

Multi-step reaction with 2 steps

1: NaBH₄ / ethanol / 0.5 h

2: H₂, AcOH / 30percent Pd/C / 1.5 h

With sodium tetrahydroborate; hydrogen; acetic acid; palladium on activated charcoal; In ethanol;

DOI:10.1021/jm00135a015

Reference yield:

2-(Benzyl-isopropyl-amino)-1-(3-benzyloxy-phenyl)-ethanol → m-hydroxy-α-[(isopropylamino)methyl]benzyl alcohol (3571-71-9)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; for 1.5h;

DOI:10.1021/jm00135a015

upstream raw materials:

norfenefrine

acetone

2-(3-nitrophenyl)oxirane

1-(3-amino-phenyl)-2-isopropylamino-ethanol

Refernces

• 1、 Barlow,Main,Snow. "β-Adrenoceptor stimulant properties of amidoalkylamino-substituted 1-aryl-2-ethanols and 1-(aryloxy)-2-propanols". . p. 315 - 322. Retrieved 2007/10/02.