2,4-dinitro-N-[(Z)-(2-prop-2-enylcyclohexylidene)amino]aniline

Base Information

• Chemical Name: 2,4-dinitro-N-[(Z)-(2-prop-2-enylcyclohexylidene)amino]aniline
• CAS No.: 1044-31-1
• Molecular Formula: C15H18 N4 O4
• Molecular Weight: 318.3278
• NSC Number: 408513
• DSSTox Substance ID: DTXSID70424835
• Mol file: 1044-31-1.mol

Synonyms:NSC408513;1044-31-1;DTXSID70424835;NSC-408513

Chemical Property of 2,4-dinitro-N-[(Z)-(2-prop-2-enylcyclohexylidene)amino]aniline

Chemical Property:

• Vapor Pressure: 1.47E-08mmHg at 25°C
• Boiling Point: 457.6°Cat760mmHg
• Flash Point: 230.5°C
• PSA: 116.03000
• Density: 1.34g/cm³
• LogP: 5.15660
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 318.13280507
• Heavy Atom Count: 23
• Complexity: 483

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC1CCCCC1=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• Isomeric SMILES: C=CCC\1CCCC/C1=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2,4-dinitro-N-[(Z)-(2-prop-2-enylcyclohexylidene)amino]aniline

There total 2 articles about 2,4-dinitro-N-[(Z)-(2-prop-2-enylcyclohexylidene)amino]aniline 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:

(2,4-dinitro-phenyl)-hydrazine (119-26-6) → 2-(3-propenyl)cyclohexanone (2,4-dinitrophenyl)hydrazone (1044-31-1)

Guidance literature:

DOI:10.1021/ja01250a050

Reference yield:

→ 2-(3-propenyl)cyclohexanone (2,4-dinitrophenyl)hydrazone (1044-31-1)

Guidance literature:

8, 2,4-Dinitrophenylhydrazin;

DOI:10.1021/jo00973a043

Reference yield: 30.0%

2-(3-propenyl)cyclohexanone (2,4-dinitrophenyl)hydrazone (1044-31-1) → 2-(2,3-dihydroxypropyl)cyclohexanone (102494-27-9) + 2-(2,3-dihydroxypropyl)cyclohexanone (2,4-dinitrophenyl)hydrazone (102494-26-8)

Guidance literature:

With cethyltrimethylammonium permanganate; In dichloromethane; at 25 ℃; for 5h;

DOI:10.1021/jo00365a042

upstream raw materials:

(2,4-dinitro-phenyl)-hydrazine

Downstream raw materials:

2-(2,3-dihydroxypropyl)cyclohexanone

2-(2,3-dihydroxypropyl)cyclohexanone (2,4-dinitrophenyl)hydrazone

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