benzyl(3-hydroxyphenacyl)methylammonium chloride

Base Information

• Chemical Name: benzyl(3-hydroxyphenacyl)methylammonium chloride
• CAS No.: 71786-67-9
• Molecular Formula: C16H17NO2^.HCl
• Molecular Weight: 291.777
• Hs Code.: 2922504500
• European Community (EC) Number: 276-017-4
• UNII: VD5MJ2V8AX
• DSSTox Substance ID: DTXSID6072421
• Mol file: 71786-67-9.mol

Synonyms:Ethanone,1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride (9CI);

Chemical Property of benzyl(3-hydroxyphenacyl)methylammonium chloride

Chemical Property:

• Vapor Pressure: 1.14E-07mmHg at 25°C
• Melting Point: 214-216oC (dec.)
• Boiling Point: 420.6 °C at 760 mmHg
• Flash Point: 208.2 °C
• PSA: 40.54000
• LogP: 3.50890
• Storage Temp.: Controlled Substance, -20°C Freezer
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 291.1026065
• Heavy Atom Count: 20
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

BenzylPhenylephroneHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC1=CC=CC=C1)CC(=O)C2=CC(=CC=C2)O.Cl
• Uses: An impurity of Phenylephrine.

Technology Process of benzyl(3-hydroxyphenacyl)methylammonium chloride

There total 2 articles about benzyl(3-hydroxyphenacyl)methylammonium chloride 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:

→ 2-(benzyl(methyl)amino)-1-(3'-hydroxyphenyl)ethanone hydrochloride (71786-67-9)

Guidance literature:

With hydrogenchloride;

DOI:10.1007/BF02874765

Reference yield:

→ 2-(benzyl(methyl)amino)-1-(3'-hydroxyphenyl)ethanone hydrochloride (71786-67-9)

Guidance literature:

With water;

Reference yield:

2-(benzyl(methyl)amino)-1-(3'-hydroxyphenyl)ethanol (1159977-09-9,1367567-95-0) + 2-(benzyl(methyl)amino)-1-(3'-hydroxyphenyl)ethanone hydrochloride (71786-67-9) → phenylephrine hydrochloride (61-76-7,827-62-3)

Guidance literature:

With hydrogen; triethylamine; In methanol;

Downstream raw materials:

Phenylephrine

3-Hydroxyphenyl-ω-methylaminoacetophenone hydrochloride

2-(benzyl(methyl)amino)-1-(3'-hydroxyphenyl)ethanol

phenylephrine hydrochloride