Benzoic acid, 2-(ethylideneamino)-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 2-(ethylideneamino)-, methyl ester
• CAS No.: 68556-21-8
• Molecular Formula: C10H11NO2
• Molecular Weight: 177.1998
• European Community (EC) Number: 271-480-9
• DSSTox Substance ID: DTXSID3071692
• Nikkaji Number: J309.214C
• Mol file: 68556-21-8.mol

Synonyms:Ethylidene methyl anthranilate;Benzoic acid, 2-(ethylideneamino)-, methyl ester;Methyl 2-(ethylideneamino)benzoate;68556-21-8;EINECS 271-480-9;DTXSID3071692;SCHEMBL21306903;2-(Ethylideneamino)benzoic acid methyl ester

Chemical Property of Benzoic acid, 2-(ethylideneamino)-, methyl ester

Chemical Property:

• Vapor Pressure: 0.00121mmHg at 25°C
• Boiling Point: 299.2°Cat760mmHg
• Flash Point: 141.3°C
• PSA: 125.92000
• Density: 1.03g/cm³
• LogP: 4.18780
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=NC1=CC=CC=C1C(=O)OC

Technology Process of Benzoic acid, 2-(ethylideneamino)-, methyl ester

There total 1 articles about Benzoic acid, 2-(ethylideneamino)-, methyl 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:

acetaldehyde (75-07-0,9002-91-9) + 2-carbomethoxyaniline (134-20-3) → C10H11NO2 (68556-21-8)

Guidance literature:

With acetic acid; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2013.09.047

Reference yield:

C10H11NO2 (68556-21-8) → 3-acetyl-1-ethyl-4-hydroxy-2(1Η)-quinolinone (66134-57-4)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium tris(acetoxy)borohydride / dichloromethane / 18 h / 20 °C

2: toluene / 3 h / 112 °C

3: sodium ethanolate / ethanol / 24 h / 78 °C

With sodium ethanolate; sodium tris(acetoxy)borohydride; In ethanol; dichloromethane; toluene;

DOI:10.1016/j.bmcl.2013.09.047

upstream raw materials:

acetaldehyde

2-carbomethoxyaniline

Downstream raw materials:

3-acetyl-1-ethyl-4-hydroxy-2(1Η)-quinolinone

Refernces