Desglymidodrine

Base Information

• Chemical Name: Desglymidodrine
• CAS No.: 3600-87-1
• Deprecated CAS: 52047-77-5
• Molecular Formula: C10H15 N O3
• Molecular Weight: 197.234
• Hs Code.: 2922199695
• European Community (EC) Number: 868-039-3
• UNII: S57K35I2FV
• DSSTox Substance ID: DTXSID00957424
• Nikkaji Number: J23.583K
• Wikidata: Q27140397
• Metabolomics Workbench ID: 66320
• ChEMBL ID: CHEMBL1076
• Mol file: 3600-87-1.mol

Synonyms:1-(2',5'-dimethoxyphenyl)aminoethanol;ST 1059;ST 1059 hydrochloride;ST-1059

Chemical Property of Desglymidodrine

Chemical Property:

• Vapor Pressure: 6.02E-06mmHg at 25°C
• Melting Point: 146-150°C dec.
• Boiling Point: 364.3°Cat760mmHg
• PKA: 11.84±0.35(Predicted)
• Flash Point: 174.1°C
• PSA: 64.71000
• Density: g/cm³
• LogP: 1.39620
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly, Sonicated), Methanol (Slightly)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 197.10519334
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

98%,99%, ^*data from raw suppliers

ST1059(Desglymidodrine) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)OC)C(CN)O
• Uses: A metabolite of Midodrine. It induces alpha-adrenergic receptor stimulation of both arterial and venous systems without direct central nervous systme of cardiac effects A metabolite of Midodrine. It induces alpha-adrenergic receptor stimulation of both arterial and venous systems without direct central nervous systme of cardiac effects. Midodrine Related Compound A

Technology Process of Desglymidodrine

There total 11 articles about Desglymidodrine 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: 83.0%

1-(2,5-dimethoxyphenyl)-2-nitroethanol (14438-63-2) → desglymidodrine (3600-87-1)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at -10 ℃; for 2h; Solvent; Reagent/catalyst;

Reference yield: 54.0%

2-(2,5-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile (141367-35-3) → desglymidodrine (3600-87-1)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 1h; Heating;

Reference yield:

2-(2,5-dimethoxyphenyl)-2-hydroxyacetonitrile (56979-58-9) → desglymidodrine (3600-87-1)

Guidance literature:

With hydrogenchloride; borane; In tetrahydrofuran;

upstream raw materials:

1,2-epoxy-1-(2,5-dimethoxyphenyl)ethane

2-(2,5-dimethoxyphenyl)-2-trimethylsilyloxyacetonitrile

2-amino-1-(2,5-dimethoxyphenyl)ethanone hydrochloride

2-bromo-2',5'-dimethoxyacetophenone

Downstream raw materials:

5-(2,5-dimethoxyphenyl)oxazolidin-2-one

midodrine hydrochloride

N-(2-(2,5-Dimethoxyphenyl)-2-hydroxyethyl)-2-((1,1-dimethylethoxy)carbonylamino)essigsaeureamid

N,N'-bis<2-hydroxy-2-(2,5-dimethoxyphenyl)ethyl>-hexamethylenediamine

Refernces

• 1、 Shang, Gao,Liu, Duan,Allen, Scott E.,Yang, Qin,Zhang, Xumu. "Asymmetric hydrogenation of α-primary and secondary amino ketones: Efficient asymmetric syntheses of (-)-arbutamine and (-)-denopamine". . p. 7780 - 7784. Retrieved 2008/04/03.
• 2、 -. "USE OF ALPHA1A-SELECTIVE ADRENOCEPTOR AGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE". . . Retrieved 2008/06/13.