Fenoterol

Base Information

• Chemical Name: Fenoterol
• CAS No.: 13392-18-2
• Deprecated CAS: 20452-25-9
• Molecular Formula: C17H21NO4
• Molecular Weight: 303.358
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID4023046
• Nikkaji Number: J8.104C
• Wikipedia: Fenoterol
• Wikidata: Q420188
• NCI Thesaurus Code: C65659
• Pharos Ligand ID: MRRJP8GU4Q9G
• Metabolomics Workbench ID: 43481
• ChEMBL ID: CHEMBL32800
• Mol file: 13392-18-2.mol

Synonyms:Berotec;Berotek;Fenoterol;Fenoterol Hydrobromide;Fenoterol Hydrochloride;Hydrochloride, Fenoterol;p Hydroxyphenyl orciprenaline;p Hydroxyphenylorciprenaline;p-Hydroxyphenyl-orciprenaline;p-Hydroxyphenylorciprenaline;Partusisten;Phenoterol;Th 1165a;Th-1165a;Th1165a

Chemical Property of Fenoterol

Chemical Property:

• Melting Point: 181-183°C
• Boiling Point: 566.049 °C at 760 mmHg
• PKA: pKa 8.5 (Uncertain);10.0 (Uncertain)
• Flash Point: 203.068 °C
• PSA: 92.95000
• Density: 1.29 g/cm³
• LogP: 3.40660
• XLogP3: 2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 303.14705815
• Heavy Atom Count: 22
• Complexity: 310

Purity/Quality:

98% ^*data from raw suppliers

Fenoterol 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O
• Recent ClinicalTrials: Beta 2 Adrenergic Stimulation vs Cold Exposure to Activate Human Brown Adipose Tissue
• Recent EU Clinical Trials: External Cephalic Version with uterine relaxation: atosiban versus fenoterol, a multi-centre trial
• Uses: antiinflammatory
• Therapeutic Function: Bronchodilator

Technology Process of Fenoterol

There total 4 articles about Fenoterol 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:

bis-(3-chloro-2-hydroxy-propyl)-cyclohexyl-amine (100246-85-3) → cyclohexyl-bis-oxiranylmethyl-amine (13391-15-6)

Guidance literature:

With 1,4-dioxane; sodium silicate;

DOI:10.1021/jo01087a008

Reference yield:

(+/-)-1-chloro-3-cyclohexylamino-2-propanol (61272-39-7) → cyclohexyl-bis-oxiranylmethyl-amine (13391-15-6)

Guidance literature:

Multi-step reaction with 2 steps

2: sodium silicate; dioxane

With 1,4-dioxane; sodium silicate;

DOI:10.1021/jo01087a008

Reference yield:

cyclohexylamine (108-91-8,157973-60-9) → cyclohexyl-bis-oxiranylmethyl-amine (13391-15-6)

Guidance literature:

Multi-step reaction with 3 steps

1: petroleum ether

3: sodium silicate; dioxane

With 1,4-dioxane; sodium silicate; Petroleum ether;

DOI:10.1021/jo01087a008

upstream raw materials:

bis-(3-chloro-2-hydroxy-propyl)-cyclohexyl-amine

(+/-)-1-chloro-3-cyclohexylamino-2-propanol

cyclohexylamine

Downstream raw materials:

(S,S)-(+)-Fenoterol

(R,R)-(-)-Fenoterol

Refernces

• 1、 -. "Pharmaceutical formula". . . Retrieved 2008/06/13.