3-{2-[Acetyl(methyl)amino]-1-hydroxyethyl}phenyl acetate

Base Information

• Chemical Name: 3-{2-[Acetyl(methyl)amino]-1-hydroxyethyl}phenyl acetate
• CAS No.: 25333-66-8
• Molecular Formula: C₁₃H₁₇NO₄
• Molecular Weight: 251.282
• DSSTox Substance ID: DTXSID80511184
• Mol file: 25333-66-8.mol

Synonyms:25333-66-8;3-{2-[Acetyl(methyl)amino]-1-hydroxyethyl}phenyl acetate;DTXSID80511184

Chemical Property of 3-{2-[Acetyl(methyl)amino]-1-hydroxyethyl}phenyl acetate

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 251.11575802
• Heavy Atom Count: 18
• Complexity: 305

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(C)CC(C1=CC(=CC=C1)OC(=O)C)O

Technology Process of 3-{2-[Acetyl(methyl)amino]-1-hydroxyethyl}phenyl acetate

There total 9 articles about 3-{2-[Acetyl(methyl)amino]-1-hydroxyethyl}phenyl acetate 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:

→ (R)-1-(3-acetoxy-phenyl)-2-(acetyl-methyl-amino)-ethanol (25333-66-8)

Guidance literature:

With potassium carbonate; sodium chloride;

DOI:10.1007/BF00899156

Reference yield:

Phenylephrine (1477-63-0) → (S)-1-(3-acetoxy-phenyl)-2-(acetyl-methyl-amino)-ethanol (25333-66-8)

Guidance literature:

Multi-step reaction with 3 steps

1: L_g-tartaric acid

2: sulfuric acid / und Behandeln des Reaktionsprodukts mit wss.Natriumcarbonat-Loesung

3: acetic acid anhydride; sulfuric acid

With L-Tartaric acid; sulfuric acid; acetic anhydride;

DOI:10.1007/BF00899156

Reference yield:

Phenylephrine (1477-63-0) → (R)-1-(3-acetoxy-phenyl)-2-(acetyl-methyl-amino)-ethanol (25333-66-8)

Guidance literature:

Multi-step reaction with 2 steps

1: L_g-tartaric acid

2: sulfuric acid / und Behandeln des Reaktionsprodukts mit wss.Natriumcarbonat-Loesung

With L-Tartaric acid; sulfuric acid;

DOI:10.1007/BF00899156

upstream raw materials:

Phenylephrine

(S)-phenylephrine

acetic anhydride

(-)-1-acetoxy-1-(3-acetoxy-phenyl)-2-methylamino-ethane

Downstream raw materials:

(S)-1-acetoxy-1-(3-acetoxy-phenyl)-2-(acetyl-methyl-amino)-ethane

(R)-1-acetoxy-1-(3-acetoxy-phenyl)-2-(acetyl-methyl-amino)-ethane

(+/-)-1-acetoxy-1-(3-acetoxy-phenyl)-2-methylamino-ethane