4-[1-Chloro-2-(methylamino)ethyl]phenyl acetate hydrochloride

Base Information

• Chemical Name: 4-[1-Chloro-2-(methylamino)ethyl]phenyl acetate hydrochloride
• CAS No.: 14593-25-0
• Molecular Formula: C11H14ClNO2.ClH
• Molecular Weight: 264.14800
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID40431632
• Mol file: 14593-25-0.mol

Synonyms:2-(4-acetoxyphenyl)-2-chloro-N-methyl-ethylammonium chloride;2-(4-acetoxyphenyl)-2-chloro-N-methylethylamine;2-(4-acetoxyphenyl)-2-chloro-N-methylethylammonium chloride;2-(acetoxyphenyl)-2-chloro-N-methylethylammonium chloride;2-APCM-ethylammonium chloride;APCl-MEA chloride;compound A (CpdA)

Chemical Property of 4-[1-Chloro-2-(methylamino)ethyl]phenyl acetate hydrochloride

Chemical Property:

• Vapor Pressure: 0.000243mmHg at 25°C
• Melting Point: 177-179 °C
• Boiling Point: 324.6oC at 760 mmHg
• Flash Point: 150.1oC
• PSA: 38.33000
• LogP: 3.30410
• Storage Temp.: = -70C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 263.0479841
• Heavy Atom Count: 16
• Complexity: 203

Purity/Quality:

98%min ^*data from raw suppliers

4-[1-Chloro-2-(methylamino)ethyl]phenylAcetateHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)C(CNC)Cl.Cl

Technology Process of 4-[1-Chloro-2-(methylamino)ethyl]phenyl acetate hydrochloride

There total 1 articles about 4-[1-Chloro-2-(methylamino)ethyl]phenyl acetate hydrochloride 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: 83.6%

(+/-)-Synephrine hydrochloride (5985-28-4) + acetyl chloride (75-36-5) → 2-(4-acetoxyphenyl)-2-chloro-N-methylethylammonium chloride (14593-25-0)

Guidance literature:

In acetic acid; at 10 - 30 ℃; for 12h;

DOI:10.1016/S0006-2952(96)00661-2

Reference yield:

2-(4-acetoxyphenyl)-2-chloro-N-methylethylammonium chloride (14593-25-0) → thiosulfuric acid S-[1-(4-acetoxy-phenyl)-2-methylamino-ethyl ester]

Guidance literature:

With sodium thiosulfate; acetic acid;

DOI:10.1007/BF00903040

Reference yield:

2-(4-acetoxyphenyl)-2-chloro-N-methylethylammonium chloride (14593-25-0) → bis-[1-(4-hydroxy-phenyl)-2-methylamino-ethyl]-disulfide

Guidance literature:

Multi-step reaction with 2 steps

1: Na₂S₂O₃; aqueous acetic acid

2: concentrated aqueous HCl / und anschliessende Oxidation mit wss.H₂O₂ nach Zusatz von Kupfer(II)-acetat

With hydrogenchloride; sodium thiosulfate; acetic acid;

DOI:10.1007/BF00903040

upstream raw materials:

(+/-)-Synephrine hydrochloride

acetyl chloride

Refernces