4-[(2,4-Dinitro-phenyl)-hydrazono]-pentanoic acid methyl ester

Base Information

• Chemical Name: 4-[(2,4-Dinitro-phenyl)-hydrazono]-pentanoic acid methyl ester
• CAS No.: 6157-91-1
• Molecular Formula: C12H14N4O6
• Molecular Weight: 310.266
• NSC Number: 13433
• ChEMBL ID: CHEMBL3197026
• Mol file: 6157-91-1.mol

Synonyms:MLS000558724;SMR000177571;4-[(2,4-Dinitro-phenyl)-hydrazono]-pentanoic acid methyl ester;NSC13433;CHEMBL3197026;BDBM95347;cid_5364699;methyl (4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]pentanoate;6157-91-1;NSC-13433;SR-01000367563;SR-01000367563-1;(4Z)-4-[(2,4-dinitrophenyl)hydrazono]valeric acid methyl ester;(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]pentanoic acid methyl ester

Chemical Property of 4-[(2,4-Dinitro-phenyl)-hydrazono]-pentanoic acid methyl ester

Chemical Property:

• Vapor Pressure: 1.9E-08mmHg at 25°C
• Boiling Point: 454.4°C at 760 mmHg
• Flash Point: 228.6°C
• Density: 1.41g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 310.09133418
• Heavy Atom Count: 22
• Complexity: 456

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CCC(=O)OC
• Isomeric SMILES: C/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/CCC(=O)OC

Technology Process of 4-[(2,4-Dinitro-phenyl)-hydrazono]-pentanoic acid methyl ester

There total 8 articles about 4-[(2,4-Dinitro-phenyl)-hydrazono]-pentanoic acid 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:

methanol (67-56-1) + levulinic acid (123-76-2) + (2,4-dinitro-phenyl)-hydrazine (119-26-6) → 4-(2,4-dinitro-phenylhydrazono)-valeric acid (5457-82-9) + 4-(2,4-dinitro-phenylhydrazono)-valeric acid methyl ester (6157-91-1)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01307a052

Reference yield:

levulinic acid methyl ester (624-45-3) + (2,4-dinitro-phenyl)-hydrazine (119-26-6) → 4-(2,4-dinitro-phenylhydrazono)-valeric acid methyl ester (6157-91-1)

Guidance literature:

DOI:10.1039/jr9410000602 DOI:10.1021/ja01335a076

Reference yield:

4-nitroso-4-chloropentanoic acid (110224-87-8) → 4-(2,4-dinitro-phenylhydrazono)-valeric acid methyl ester (6157-91-1)

Guidance literature:

Multi-step reaction with 2 steps

1: Photolysis

DOI:10.1039/jr9410000602

upstream raw materials:

methanol

levulinic acid

(2,4-dinitro-phenyl)-hydrazine

levulinic acid methyl ester