2-[2-(Chloromethyl)phenyl]-2-ethoxyimino-ethanoate

Base Information

• Chemical Name: 2-[2-(Chloromethyl)phenyl]-2-ethoxyimino-ethanoate
• CAS No.: 155380-13-5
• Molecular Formula: C9H6ClNO
• Molecular Weight: 179.6
• DSSTox Substance ID: DTXSID20703046
• Mol file: 155380-13-5.mol

Synonyms:2-[2-(chloromethyl)phenyl]-2-ethoxyiminoacetate;2-[2-(chloromethyl)phenyl]-2-ethoxyimino-ethanoate;DTXSID20703046;[2-(Chloromethyl)phenyl](ethoxyimino)acetate;A809638

Chemical Property of 2-[2-(Chloromethyl)phenyl]-2-ethoxyimino-ethanoate

Chemical Property:

• Boiling Point: 300.8±25.0 °C(Predicted)
• PSA: 40.86000
• Density: 1.264
• LogP: 2.13168
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 240.0427459
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

97% ^*data from raw suppliers

Methyl(2E)-[2-(chloromethyl)phenyl)](methoxyimino)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCON=C(C1=CC=CC=C1CCl)C(=O)[O-]
• Uses: Methyl (2E)-[2-(chloromethyl)phenyl)](methoxyimino)acetate is an impurity from the pesticide active ingredient, Trifloxystrobin, a broad-spectrum foliar fungicide used in plant pritection.

Technology Process of 2-[2-(Chloromethyl)phenyl]-2-ethoxyimino-ethanoate

There total 6 articles about 2-[2-(Chloromethyl)phenyl]-2-ethoxyimino-ethanoate 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-Chloromethylbenzoyl chloride (42908-86-1) → 2-(2-chloromethylphenyl)-2-oxoacetonitrile (155380-13-5)

Guidance literature:

With copper(I) iodide; sodium hydrogencarbonate; In quinoline; water; acetonitrile;

Reference yield:

2-Chloromethylbenzoyl chloride (42908-86-1) + copper(l) cyanide → 2-(2-chloromethylphenyl)-2-oxoacetonitrile (155380-13-5)

Guidance literature:

With sodium hydrogencarbonate; In water; acetonitrile;

Reference yield:

2-benzofuran-1(3H)-one (87-41-2) + dimeric benzoyl cyanide + Cu(I) cyanide + 2-Chloromethylbenzoyl chloride (42908-86-1) → 2-(2-chloromethylphenyl)-2-oxoacetonitrile (155380-13-5)

Guidance literature:

In acetonitrile;

upstream raw materials:

2-Chloromethylbenzoyl chloride

2-benzofuran-1(3H)-one

sodium cyanide

Downstream raw materials:

(2-Ethyl)hexyl 2-(chloromethyl)phenylglyoxylate

n-pentyl 2-(chloromethyl)phenylglyoxylate

2-(2-chloromethylphenyl)-2-oxoacetamide

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