(2,3-Dichloro-6-nitrophenyl)methyl-(2-ethoxy-2-oxoethyl)azanium;chloride

Base Information

• Chemical Name: (2,3-Dichloro-6-nitrophenyl)methyl-(2-ethoxy-2-oxoethyl)azanium;chloride
• CAS No.: 70380-50-6
• Molecular Formula: C11H12 Cl2 N2 O4 . Cl H
• Molecular Weight: 343.594
• Mol file: 70380-50-6.mol

Synonyms:

Chemical Property of (2,3-Dichloro-6-nitrophenyl)methyl-(2-ethoxy-2-oxoethyl)azanium;chloride

Chemical Property:

• PSA: 84.15000
• LogP: 3.46840
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 341.994090
• Heavy Atom Count: 20
• Complexity: 324

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C[NH2+]CC1=C(C=CC(=C1Cl)Cl)[N+](=O)[O-].[Cl-]

Technology Process of (2,3-Dichloro-6-nitrophenyl)methyl-(2-ethoxy-2-oxoethyl)azanium;chloride

There total 3 articles about (2,3-Dichloro-6-nitrophenyl)methyl-(2-ethoxy-2-oxoethyl)azanium;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: 76.0%

2,3-dichloro-6-nitrobenzyl methanesulfonate (1029477-57-3) + GlyOEt*HCl (459-73-4) → N-(2,3-dichloro-6-nitrobenzyl)glycine ethyl ester hydrochloride (70380-50-6)

Guidance literature:

2,3-dichloro-6-nitrobenzyl methanesulfonate; GlyOEt*HCl; With dmap; potassium carbonate; In acetonitrile; at 20 - 40 ℃; for 24h;

With hydrogenchloride; In ethyl acetate; isopropyl alcohol; at 5 - 10 ℃; for 1h; pH=2.0;

Reference yield: 72.0%

1,2-dichloro-3-chloromethyl-4-nitrobenzene (192124-88-2) + GlyOEt*HCl (459-73-4) → N-(2,3-dichloro-6-nitrobenzyl)glycine ethyl ester hydrochloride (70380-50-6)

Guidance literature:

1,2-dichloro-3-chloromethyl-4-nitrobenzene; GlyOEt*HCl; With triethylamine; In acetonitrile; at 20 - 75 ℃; for 2.5 - 2.83333h;

With hydrogenchloride; In ethanol; isopropyl alcohol; at 5 - 20 ℃;

Reference yield:

2,3-dichloro-6-nitrobenzylamine (70380-49-3) + ethyl bromoacetate (105-36-2) → N-(2,3-dichloro-6-nitrobenzyl)glycine ethyl ester hydrochloride (70380-50-6)

Guidance literature:

2,3-dichloro-6-nitrobenzylamine; ethyl bromoacetate; With triethylamine; In 1,4-dioxane; at 90 - 100 ℃; for 4h;

With hydrogenchloride; In water; ethyl acetate; isopropyl alcohol; at 20 - 30 ℃;

upstream raw materials:

1,2-dichloro-3-chloromethyl-4-nitrobenzene

GlyOEt*HCl

2,3-dichloro-6-nitrobenzyl methanesulfonate

2,3-dichloro-6-nitrobenzylamine

Downstream raw materials:

N-(6-amino-2,3-dichlorobenzyl)glycine ethyl ester

ethyl-N-(2,3-dichloro-6-amino benzyl) glycine HCl

N-(6-amino-2,3-dichlorobenzyl)glycine ethyl ester dihydrochloride

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF ETHYL-N-(2, 3-DICHLORO-6-NITROBENZYL) GLYCINE HYDROCHLORIDE". Page/Page column 13. . Retrieved 2008/12/08.