5-Nitrothiophene-2-carboxaldehyde semicarbazone

Base Information

• Chemical Name: 5-Nitrothiophene-2-carboxaldehyde semicarbazone
• CAS No.: 6286-12-0
• Molecular Formula: C6H6N4O3S
• Molecular Weight: 214.2018
• NSC Number: 10013
• Mol file: 6286-12-0.mol

Synonyms:UCLHQQFTMJFOKW-FPYGCLRLSA-N;6286-12-0;NSC10013;NSC-10013;AKOS024387744;5-Nitro-2-thiophenecarbaldehyde semicarbazone #;5-Nitrothiophene-2-carboxaldehyde semicarbazone

Chemical Property of 5-Nitrothiophene-2-carboxaldehyde semicarbazone

Chemical Property:

• Density: 1.72g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 214.01606124
• Heavy Atom Count: 14
• Complexity: 264

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=C1)[N+](=O)[O-])C=NNC(=O)N
• Isomeric SMILES: C1=C(SC(=C1)[N+](=O)[O-])/C=N/NC(=O)N

Technology Process of 5-Nitrothiophene-2-carboxaldehyde semicarbazone

There total 4 articles about 5-Nitrothiophene-2-carboxaldehyde semicarbazone 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-nitrothiophene (609-40-5) + semicarbazide hydrochloride (563-41-7) → 5-nitro-2-thiophene semicarbazone (6286-12-0)

Guidance literature:

In methanol; at 65 ℃; for 0.333333h;

DOI:10.3390/molecules25040993

Reference yield:

5-nitrothiophene-2-carboxaldehyde diacetate (14289-24-8) → 5-nitro-2-thiophene semicarbazone (6286-12-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous sulfuric acid

With sulfuric acid;

DOI:10.1021/ja01125a519

Reference yield:

2-thiophenecarboxaldehyde diacetate (63011-97-2) → 5-nitro-2-thiophene semicarbazone (6286-12-0)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid anhydride; nitric acid; acetic acid

2: aqueous sulfuric acid

With sulfuric acid; nitric acid; acetic anhydride; acetic acid;

DOI:10.1021/ja01125a519

upstream raw materials:

5-nitro-2-thiophenecarboxaldehyde

hydrazine carboxamide

2-thiophenecarboxaldehyde diacetate

5-nitrothiophene-2-carboxaldehyde diacetate

Refernces