ethyl (3Z)-2-acetamido-3-(phenylhydrazinylidene)butanoate

Base Information

• Chemical Name: ethyl (3Z)-2-acetamido-3-(phenylhydrazinylidene)butanoate
• CAS No.: 5431-95-8
• Molecular Formula: C₁₄H₁₉N₃O₃
• Molecular Weight: 277.323
• NSC Number: 13667
• DSSTox Substance ID: DTXSID30421320
• Mol file: 5431-95-8.mol

Synonyms:NSC13667;5431-95-8;DTXSID30421320;NSC-13667

Chemical Property of ethyl (3Z)-2-acetamido-3-(phenylhydrazinylidene)butanoate

Chemical Property:

• Density: 1.14g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 277.14264148
• Heavy Atom Count: 20
• Complexity: 363

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of ethyl (3Z)-2-acetamido-3-(phenylhydrazinylidene)butanoate

There total 2 articles about ethyl (3Z)-2-acetamido-3-(phenylhydrazinylidene)butanoate 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:

ethyl 2-hydroxyimino-3-oxobutanoate (5408-04-8) → 2-acetylamino-3-phenylhydrazono-butyric acid ethyl ester (5431-95-8)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium coal / Hydrogenation

With palladium on activated charcoal;

DOI:10.1021/ja01184a518

Reference yield:

ethyl 2-(acetylamino)-3-oxobutanoate (5431-93-6) → 2-acetylamino-3-phenylhydrazono-butyric acid ethyl ester (5431-95-8)

Guidance literature:

DOI:10.1021/ja01184a518

upstream raw materials:

ethyl 2-(acetylamino)-3-oxobutanoate

ethyl 2-hydroxyimino-3-oxobutanoate