2-Furanacrolein, 5-nitro-, (1,3-dimethyl-2,6-dioxo-7-(2-hydroxy-3-phenoxypropyl)-1,2,3,6-tetrahydropurin-8-yl)hydrazone

Base Information

• Chemical Name: 2-Furanacrolein, 5-nitro-, (1,3-dimethyl-2,6-dioxo-7-(2-hydroxy-3-phenoxypropyl)-1,2,3,6-tetrahydropurin-8-yl)hydrazone
• CAS No.: 78960-64-2
• Molecular Formula: C₂₃H₂₃N₇O₇
• Molecular Weight: 509.478
• Mol file: 78960-64-2.mol

Synonyms:BRN 5203007;2-Furanacrolein, 5-nitro-, (1,3-dimethyl-2,6-dioxo-7-(2-hydroxy-3-phenoxypropyl)-1,2,3,6-tetrahydropurin-8-yl)hydrazone;78960-64-2;C23H23N7O7;C23-H23-N7-O7;LS-70048

Chemical Property of 2-Furanacrolein, 5-nitro-, (1,3-dimethyl-2,6-dioxo-7-(2-hydroxy-3-phenoxypropyl)-1,2,3,6-tetrahydropurin-8-yl)hydrazone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 776.535°C at 760 mmHg
• Flash Point: 423.433°C
• Density: 1.485g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 509.16589610
• Heavy Atom Count: 37
• Complexity: 891

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC=CC3=CC=C(O3)[N+](=O)[O-])CC(COC4=CC=CC=C4)O
• Isomeric SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C=C/C3=CC=C(O3)[N+](=O)[O-])CC(COC4=CC=CC=C4)O

Technology Process of 2-Furanacrolein, 5-nitro-, (1,3-dimethyl-2,6-dioxo-7-(2-hydroxy-3-phenoxypropyl)-1,2,3,6-tetrahydropurin-8-yl)hydrazone

There total 3 articles about 2-Furanacrolein, 5-nitro-, (1,3-dimethyl-2,6-dioxo-7-(2-hydroxy-3-phenoxypropyl)-1,2,3,6-tetrahydropurin-8-yl)hydrazone 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%

5-nitrofurylacrolein (52661-56-0,1874-22-2) + 8-Hydrazino-7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (78960-55-1) → 7-(2-Hydroxy-3-phenoxy-propyl)-1,3-dimethyl-8-{N'-[(Z)-3-(5-nitro-furan-2-yl)-prop-2-en-(Z)-ylidene]-hydrazino}-3,7-dihydro-purine-2,6-dione (78960-64-2)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1007/BF00759472

Reference yield:

8-bromotheophylline (10381-75-6) → 7-(2-Hydroxy-3-phenoxy-propyl)-1,3-dimethyl-8-{N'-[(Z)-3-(5-nitro-furan-2-yl)-prop-2-en-(Z)-ylidene]-hydrazino}-3,7-dihydro-purine-2,6-dione (78960-64-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 86 percent

2: 98 percent / 98percent hydrazine hydrate / 2-methoxy-ethanol / Heating

3: 92 percent / aq. HCl / Heating

With hydrogenchloride; hydrazine hydrate; In 2-methoxy-ethanol;

DOI:10.1007/BF00759472

Reference yield:

1,3-Dimethyl-6-phenoxymethyl-6,7-dihydro-1H-oxazolo[2,3-f]purine-2,4-dione → 7-(2-Hydroxy-3-phenoxy-propyl)-1,3-dimethyl-8-{N'-[(Z)-3-(5-nitro-furan-2-yl)-prop-2-en-(Z)-ylidene]-hydrazino}-3,7-dihydro-purine-2,6-dione (78960-64-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / 98percent hydrazine hydrate / 2-methoxy-ethanol / Heating

2: 92 percent / aq. HCl / Heating

With hydrogenchloride; hydrazine hydrate; In 2-methoxy-ethanol;

DOI:10.1007/BF00759472

upstream raw materials:

5-nitrofurylacrolein

8-Hydrazino-7-(2-hydroxy-3-phenoxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

8-bromotheophylline