(2E)-2-(benzoylhydrazinylidene)chromene-3-carboxamide

Base Information

• Chemical Name: (2E)-2-(benzoylhydrazinylidene)chromene-3-carboxamide
• CAS No.: 180403-60-5
• Molecular Formula: C₁₇H₁₃N₃O₃
• Molecular Weight: 307.309
• DSSTox Substance ID: DTXSID701327696
• ChEMBL ID: CHEMBL3199141
• Mol file: 180403-60-5.mol

Synonyms:(2E)-2-(benzoylhydrazono)-2H-chromene-3-carboxamide;MLS001195003;(2E)-2-(benzoylhydrazinylidene)chromene-3-carboxamide;CHEMBL3199141;DTXSID701327696;STK015503;AKOS001577874;SMR000554566;(2E)-2-[2-(phenylcarbonyl)hydrazinylidene]-2H-chromene-3-carboxamide

Chemical Property of (2E)-2-(benzoylhydrazinylidene)chromene-3-carboxamide

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 307.09569129
• Heavy Atom Count: 23
• Complexity: 535

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NN=C2C(=CC3=CC=CC=C3O2)C(=O)N
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)N/N=C/2\C(=CC3=CC=CC=C3O2)C(=O)N

Technology Process of (2E)-2-(benzoylhydrazinylidene)chromene-3-carboxamide

There total 3 articles about (2E)-2-(benzoylhydrazinylidene)chromene-3-carboxamide 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: 92.0%

2-imino-2H-1-benzopyran-3-carboxamide (52218-17-4) + benzoic hydrazide hydrochloride (1452-58-0) → 2-(Benzoyl-hydrazono)-2H-chromene-3-carboxylic acid amide (180403-60-5)

Guidance literature:

In acetic acid; for 0.166667h; Heating;

DOI:10.1007/BF01165439

Reference yield:

salicylaldehyde (90-02-8) → 2-(Benzoyl-hydrazono)-2H-chromene-3-carboxylic acid amide (180403-60-5)

Guidance literature:

Multi-step reaction with 2 steps

1: piperidine / ethanol

2: 92 percent / acetic acid / 0.17 h / Heating

With piperidine; In ethanol; acetic acid;

DOI:10.1007/BF01165439

Reference yield:

2-imino-2H-1-benzopyran-3-carboxamide (52218-17-4) + benzoic acid hydrazide (613-94-5) → 2-(Benzoyl-hydrazono)-2H-chromene-3-carboxylic acid amide (180403-60-5)

Guidance literature:

With sulfuric acid; In acetic acid;

DOI:10.1007/BF02251703

upstream raw materials:

2-imino-2H-1-benzopyran-3-carboxamide

benzoic hydrazide hydrochloride

benzoic acid hydrazide

salicylaldehyde

Downstream raw materials:

2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-chromene