Acetic acid, cyano((3-methylphenyl)hydrazono)-, ethyl ester

Base Information

• Chemical Name: Acetic acid, cyano((3-methylphenyl)hydrazono)-, ethyl ester
• CAS No.: 3994-20-5
• Molecular Formula: C12H13N3O2
• Molecular Weight: 231.254
• Mol file: 3994-20-5.mol

Synonyms:Cyanoglyoxylic acid ethyl ester 2-m-tolylhydrazone;BRN 0750735;3994-20-5;Glyoxylic acid, cyano-, ethyl ester, 2-m-tolylhydrazone;ACETIC ACID, CYANO((3-METHYLPHENYL)HYDRAZONO)-, ETHYL ESTER;AKOS003610999

Chemical Property of Acetic acid, cyano((3-methylphenyl)hydrazono)-, ethyl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 336.71°C at 760 mmHg
• Flash Point: 157.437°C
• Density: 1.125g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 231.100776666
• Heavy Atom Count: 17
• Complexity: 343

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Acetic acid, cyano((3-methylphenyl)hydrazono)-, ethyl ester

There total 3 articles about Acetic acid, cyano((3-methylphenyl)hydrazono)-, 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: 88.0%

3-methylbenzenediazonium tetrafluoroborate (1422-76-0) + ethyl 2-cyanoacetate (105-56-6) → cyano[(3-methylphenyl)hydrazono]acetic acid ethyl ester (3994-20-5)

Guidance literature:

With sodium acetate; silica gel; In neat (no solvent); at 20 ℃; for 0.333333h; Milling;

DOI:10.2174/1570178611999140404111411

Reference yield:

ethyl 2-cyanoacetate (105-56-6) + 1-amino-3-methylbenzene (108-44-1) → cyano[(3-methylphenyl)hydrazono]acetic acid ethyl ester (3994-20-5)

Guidance literature:

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

Reference yield:

→ cyano[(3-methylphenyl)hydrazono]acetic acid ethyl ester (3994-20-5)

Guidance literature:

diazotiertes m-Toluidin, Ethylcyanessigsaeure;

upstream raw materials:

ethyl 2-cyanoacetate

1-amino-3-methylbenzene

3-methylbenzenediazonium tetrafluoroborate

Downstream raw materials:

3-amino-isoxazole-4,5-dione 4-m-tolylhydrazone