Isoxsuprine

Base Information

• Chemical Name: Isoxsuprine
• CAS No.: 395-28-8
• Deprecated CAS: 395-29-9
• Molecular Formula: C18H23 N O3
• Molecular Weight: 301.386
• European Community (EC) Number: 206-898-2
• UNII: R15UI3245N
• Metabolomics Workbench ID: 152018
• NCI Thesaurus Code: C61795
• Nikkaji Number: J1.192.148E
• Wikipedia: Isoxsuprine
• Mol file: 395-28-8.mol

Synonyms:Duvadilan;Hydrochloride, Isoxsuprine;Isoxsuprine;Isoxsuprine Hydrochloride

Chemical Property of Isoxsuprine

Chemical Property:

• Vapor Pressure: 3.74E-11mmHg at 25°C
• Melting Point: 102.5-103.5°
• Refractive Index: 1.5740 (estimate)
• Boiling Point: 484.2°Cat760mmHg
• PKA: 9.96±0.26(Predicted)
• Flash Point: 246.6°C
• PSA: 61.72000
• Density: 1.146g/cm³
• LogP: 3.26210
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 301.16779360
• Heavy Atom Count: 22
• Complexity: 299

Purity/Quality:

99%, ^*data from raw suppliers

ISOXSUPRINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O
• Isomeric SMILES: C[C@H](COC1=CC=CC=C1)N[C@H](C)[C@H](C2=CC=C(C=C2)O)O
• Uses: Vasodilator.
• Therapeutic Function: Vasodilator

Technology Process of Isoxsuprine

There total 11 articles about Isoxsuprine 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: 54.0%

3-phenoxy-2-propanone (621-87-4) + p-hydroxynorepherdine (552-85-2) → isoxsuprine (395-28-8,395-29-9)

Guidance literature:

3-phenoxy-2-propanone; p-hydroxynorepherdine; With sodium cyanoborohydride; triethylamine; In methanol; at 20 ℃;

With hydrogenchloride; In water;

Reference yield:

→ isoxsuprine (395-28-8,395-29-9)

Guidance literature:

Gemisch von β(R).γ(R)- und β(S),γ(S)-p-Hydroxy-α-(phenoxy-isopropyl)aminopropiophenon (4), katalytische Tritiierung;

DOI:10.1002/jlcr.2590070402

Reference yield:

→ (1RS,2RS)-1-(4-hydroxy-phenyl)-2-((Ξ)-β-phenoxy-isopropylamino)-propan-1-ol (395-28-8,1518-93-0,1518-97-4,395-29-9)

Guidance literature:

With palladium on activated charcoal; ethanol; isomer(ic) II; Hydrogenation;

upstream raw materials:

3-phenoxy-2-propanone

p-hydroxynorepherdine

(1RS,2RS)-2-amino-1-(4-hydroxy-phenyl)-propan-1-ol

(1RS,2RS)-2-dibenzylamino-1-(4-benzyloxy-phenyl)-propan-1-ol

Downstream raw materials:

10'-O-(4-tert-butoxycarbonylmethyl)isoxsuprine ether

4-(1-hydroxy-2-<(1-methyl-2-phenoxyethyl)amino>propyl)phenyl propanoate

(+)-Isoxsuprin

(-)-Isoxsuprin

Refernces