Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate

Base Information

• Chemical Name: Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate
• CAS No.: 35559-12-7
• Molecular Formula: C10H11 N3 O4
• Molecular Weight: 237.215
• DSSTox Substance ID: DTXSID40956951
• Mol file: 35559-12-7.mol

Synonyms:DTXSID40956951;Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate

Chemical Property of Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.29g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 237.07495584
• Heavy Atom Count: 17
• Complexity: 300

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NN=CC1=CC(=CC=C1)[N+](=O)[O-]

Technology Process of Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate

There total 1 articles about Ethyl hydrogen [(3-nitrophenyl)methylidene]carbonohydrazonate 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:

3-nitro-benzaldehyde (99-61-6) + ethylhydrazine carboxylate (4114-31-2) → (3-nitro-benzylidene)-carbazic acid ethyl ester (35559-12-7)

Guidance literature:

DOI:10.1021/ja01105a513

Reference yield:

(3-nitro-benzylidene)-carbazic acid ethyl ester (35559-12-7) → ethyl 2-(3-nitrobenzyl)hydrazine-1-carboxylate

Guidance literature:

With sodium cyanoborohydride; In methanol; at 0 - 5 ℃;

DOI:10.1016/j.bmc.2015.08.030

Reference yield:

(3-nitro-benzylidene)-carbazic acid ethyl ester (35559-12-7) → 5-ethoxy-3-(3-nitrobenzyl)-1,3,4-oxadiazol-2(3H)-one

Guidance literature:

Multi-step reaction with 2 steps

1: sodium cyanoborohydride / methanol / 0 - 5 °C

2: pyridine / dichloromethane; toluene / 0 - 25 °C / Inert atmosphere

With pyridine; sodium cyanoborohydride; In methanol; dichloromethane; toluene;

DOI:10.1016/j.bmc.2015.08.030

upstream raw materials:

3-nitro-benzaldehyde

ethylhydrazine carboxylate