N-Methylepinephrine

Base Information

• Chemical Name: N-Methylepinephrine
• CAS No.: 554-99-4
• Molecular Formula: C10H15 N O3
• Molecular Weight: 197.234
• European Community (EC) Number: 209-078-2
• NSC Number: 169812
• UNII: T12BO931W4
• DSSTox Substance ID: DTXSID50871762
• Nikkaji Number: J54.543K
• Wikidata: Q27289528
• Mol file: 554-99-4.mol

Synonyms:alpha((dimethylamino)methyl)- 3,4-dihydroxybenzyl alcohol;methadrene;N-methyladrenaline;N-methylepinephrine;N-methylepinephrine hydrochloride

Chemical Property of N-Methylepinephrine

Chemical Property:

• Vapor Pressure: 6.78E-07mmHg at 25°C
• Refractive Index: 1.5480 (estimate)
• Boiling Point: 393.4°Cat760mmHg
• Flash Point: 227°C
• PSA: 63.93000
• Density: 1.251g/cm³
• LogP: 0.69280
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 197.10519334
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

rac N-Methyl Epinephrine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC(C1=CC(=C(C=C1)O)O)O
• Uses: N-Methylepinephrine is the N-methylated analogue of the sympathomimetic hormone Epinephrine (E588585). Recent studies suggest that N-Methylepinephrine may be synthesized from Epinephrine by phenylethanolamine N-methyltransferase present in the brain.

Technology Process of N-Methylepinephrine

There total 5 articles about N-Methylepinephrine 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:

α-(dimethylamino)-3',4'-dihydroxyacetophenone hydrochloride (16899-83-5) → N-Methylepinephrine (554-99-4)

Guidance literature:

With ethanol; platinum; Hydrogenation;

Reference yield:

2-chloro-3',4'-dihydroxyacetophenone (99-40-1) → N-Methylepinephrine (554-99-4)

Guidance literature:

Multi-step reaction with 2 steps

2: H₂ / PtO₂

With hydrogen; platinum(IV) oxide;

DOI:10.1021/jm00065a012

Reference yield:

1-(3,4-dihydroxy-phenyl)-2-dimethylamino-ethanone (150-10-7) → N-Methylepinephrine (554-99-4)

Guidance literature:

Electrolysis_.Reduktion;

upstream raw materials:

1-(3,4-dihydroxy-phenyl)-2-dimethylamino-ethanone

α-(dimethylamino)-3',4'-dihydroxyacetophenone hydrochloride

2-chloro-3',4'-dihydroxyacetophenone

Downstream raw materials:

(S)-1-(3,4-dihydroxy-phenyl)-2-dimethylamino-ethanol

(-)-isoproterenol

Refernces