2-((1-((4-Methoxy-3-nitrophenyl)methyl)-1H-imidazol-2-yl)methylene)hydrazinecarbothioamide

Base Information

• Chemical Name: 2-((1-((4-Methoxy-3-nitrophenyl)methyl)-1H-imidazol-2-yl)methylene)hydrazinecarbothioamide
• CAS No.: 134221-16-2
• Molecular Formula: C₁₃H₁₄N₆O₃S
• Molecular Weight: 334.359
• Mol file: 134221-16-2.mol

Synonyms:BRN 4823143;2-((1-((4-Methoxy-3-nitrophenyl)methyl)-1H-imidazol-2-yl)methylene)hydrazinecarbothioamide;Hydrazinecarbothioamide, 2-((1-((4-methoxy-3-nitrophenyl)methyl)-1H-imidazol-2-yl)methylene)-;134221-16-2;C13H14N6O3S;C13-H14-N6-O3-S;LS-76530

Chemical Property of 2-((1-((4-Methoxy-3-nitrophenyl)methyl)-1H-imidazol-2-yl)methylene)hydrazinecarbothioamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 607.1°Cat760mmHg
• Flash Point: 321°C
• Density: 1.47g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 334.08480950
• Heavy Atom Count: 23
• Complexity: 458

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CN2C=CN=C2C=NNC(=S)N)[N+](=O)[O-]
• Isomeric SMILES: COC1=C(C=C(C=C1)CN2C=CN=C2/C=N/NC(=S)N)[N+](=O)[O-]

Technology Process of 2-((1-((4-Methoxy-3-nitrophenyl)methyl)-1H-imidazol-2-yl)methylene)hydrazinecarbothioamide

There total 2 articles about 2-((1-((4-Methoxy-3-nitrophenyl)methyl)-1H-imidazol-2-yl)methylene)hydrazinecarbothioamide 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: 80.0%

1-(4-methoxy-3-nitrobenzyl)imidazole-2-carboxaldehyde (134221-07-1) + thiosemicarbazide (79-19-6) → C13H14N6O3S (134221-16-2)

Guidance literature:

In ethanol; for 7h; Heating;

DOI:10.1007/BF00766563

Reference yield:

1-(4-methoxy-3-nitrobenzyl)-2-hydroxymethylimidazole (120286-49-9) → C13H14N6O3S (134221-16-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / SeO₂ / dioxane; H₂O / 25 h / Heating

2: 80 percent / ethanol / 7 h / Heating

With selenium(IV) oxide; In 1,4-dioxane; ethanol; water;

DOI:10.1007/BF00766563

upstream raw materials:

1-(4-methoxy-3-nitrobenzyl)imidazole-2-carboxaldehyde

thiosemicarbazide

1-(4-methoxy-3-nitrobenzyl)-2-hydroxymethylimidazole