Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, ethyl ester

Base Information

• Chemical Name: Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, ethyl ester
• CAS No.: 3994-24-9
• Molecular Formula: C11H10ClN3O2
• Molecular Weight: 251.672
• Nikkaji Number: J367.084H
• Mol file: 3994-24-9.mol

Synonyms:NSC 176283;Cyanoglyoxylic acid ethyl ester 2-(p-chlorophenyl)hydrazone;ACETIC ACID, ((4-CHLOROPHENYL)HYDRAZONO)CYANO-, ETHYL ESTER;Glyoxylic acid, cyano-, ethyl ester, 2-(p-chlorophenyl)hydrazone;C11H10ClN3O2;AKOS002663536;2-[2-(4-Chlorophenyl)hydrazono]-2-cyanoacetic acid ethyl ester

Chemical Property of Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, ethyl ester

Chemical Property:

• Vapor Pressure: 4.39E-05mmHg at 25°C
• Boiling Point: 350.5°C at 760 mmHg
• Flash Point: 165.7°C
• PSA: 74.48000
• Density: 1.26g/cm³
• LogP: 2.26758
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 251.0461543
• Heavy Atom Count: 17
• Complexity: 340

Purity/Quality:

ETHYL-2-[2-(4-CHLOROPHENYL)HYDRAZONO]-2-CYANOACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=NNC1=CC=C(C=C1)Cl)C#N
• Isomeric SMILES: CCOC(=O)/C(=N\NC1=CC=C(C=C1)Cl)/C#N

Technology Process of Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, ethyl ester

There total 5 articles about Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, ethyl ester 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:

4-chloro-aniline (106-47-8) + ethyl 2-cyanoacetate (105-56-6) → ethyl α-cyano-α-(p-chlorophenylhydrazono)glyoxalate (3994-24-9)

Guidance literature:

With hydrogenchloride; sodium nitrite; Yield given. Multistep reaction; 1.) 5 deg C, 3 h;

Reference yield:

sodium salt of ethyl cyanoacetate → ethyl α-cyano-α-(p-chlorophenylhydrazono)glyoxalate (3994-24-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / dioxane / 1 h / Heating

In 1,4-dioxane;

Reference yield:

2-Cyano-3-oxo-3-(5-phenyl-1-p-tolyl-1H-[1,2,4]triazol-3-yl)-propionic acid ethyl ester → ethyl α-cyano-α-(p-chlorophenylhydrazono)glyoxalate (3994-24-9)

Guidance literature:

upstream raw materials:

p-chloroaniline hydrochloride

ethyl 2-cyanoacetate

4-chloro-aniline

Downstream raw materials:

Cyanglyoxylsaeure-4-chlorphenylhydrazon

3-{3-Amino-4-[(4-chloro-phenyl)-hydrazono]-5-oxo-4,5-dihydro-pyrazol-1-yl}-propionitrile

Cyano-[(5,5'-dichloro-2'-{N'-[1-cyano-1-ethoxycarbonyl-meth-(E)-ylidene]-hydrazino}-biphenyl-2-yl)-hydrazono]-acetic acid ethyl ester

C₂₂H₁₈Cl₂N₆O₄*2ClHO₄