ethyl (Z)-3-[(2-nitrophenyl)methylideneamino]-2-[(2-nitrophenyl)-(2-oxohydrazinyl)methyl]but-2-enoate

Base Information

• Chemical Name: ethyl (Z)-3-[(2-nitrophenyl)methylideneamino]-2-[(2-nitrophenyl)-(2-oxohydrazinyl)methyl]but-2-enoate
• CAS No.: 80742-27-4
• Molecular Formula: C20H19N5O7
• Molecular Weight: 441.3942
• NSC Number: 357575
• DSSTox Substance ID: DTXSID50421307

Synonyms:NSC357575;80742-27-4;DTXSID50421307;NSC-357575

Chemical Property of ethyl (Z)-3-[(2-nitrophenyl)methylideneamino]-2-[(2-nitrophenyl)-(2-oxohydrazinyl)methyl]but-2-enoate

Chemical Property:

• Vapor Pressure: 1.8E-16mmHg at 25°C
• Boiling Point: 643.9°C at 760 mmHg
• Flash Point: 343.2°C
• Density: 1.37g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 441.12844796
• Heavy Atom Count: 32
• Complexity: 758

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=C(C)N=CC1=CC=CC=C1[N+](=O)[O-])C(C2=CC=CC=C2[N+](=O)[O-])NN=O
• Isomeric SMILES: CCOC(=O)/C(=C(/C)\N=CC1=CC=CC=C1[N+](=O)[O-])/C(C2=CC=CC=C2[N+](=O)[O-])NN=O

Technology Process of ethyl (Z)-3-[(2-nitrophenyl)methylideneamino]-2-[(2-nitrophenyl)-(2-oxohydrazinyl)methyl]but-2-enoate

There total 2 articles about ethyl (Z)-3-[(2-nitrophenyl)methylideneamino]-2-[(2-nitrophenyl)-(2-oxohydrazinyl)methyl]but-2-enoate 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: 72.5%

ethyl (2RS,4RS)-6-methyl-2,4-bis(2-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate (80742-12-7,80742-14-9,108139-79-3) → C20H19N5O7 (80742-27-4)

Guidance literature:

With hydrogenchloride; sodium nitrite; In ethanol; for 3h; Ambient temperature;

DOI:10.1002/ardp.19813141110

Reference yield:

→ C20H19N5O7 (80742-27-4)

Guidance literature:

entspr. Pyrimidin 2d, salpetriger Saeure;

DOI:10.1002/ardp.19813141110

upstream raw materials:

ethyl (2RS,4RS)-6-methyl-2,4-bis(2-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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