Nicotinaldehyde semicarbazone

Base Information

• Chemical Name: Nicotinaldehyde semicarbazone
• CAS No.: 13370-80-4
• Molecular Formula: C₇H₈N₄O
• Molecular Weight: 164.167
• European Community (EC) Number: 236-442-8
• Mol file: 13370-80-4.mol

Synonyms:Nicotinaldehyde semicarbazone;13370-80-4;120445-71-8;[(E)-pyridin-3-ylmethylideneamino]urea;[(pyridin-3-ylmethylidene)amino]urea;EINECS 236-442-8;(E)-2-(Pyridin-3-ylmethylene)hydrazine-1-carboxamide;AKOS003541662;{[(pyridin-3-yl)methylidene]amino}urea;EN300-43535;Z49560577

Chemical Property of Nicotinaldehyde semicarbazone

Chemical Property:

• Melting Point: 213-214 °C
• Boiling Point: °Cat760mmHg
• PKA: 11.29±0.46(Predicted)
• Flash Point: °C
• PSA: 80.37000
• Density: 1.31g/cm³
• LogP: 1.17500
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 164.06981089
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

99% ^*data from raw suppliers

[(pyridin-3-ylmethylidene)amino]urea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C=NNC(=O)N
• Isomeric SMILES: C1=CC(=CN=C1)/C=N/NC(=O)N

Technology Process of Nicotinaldehyde semicarbazone

There total 5 articles about Nicotinaldehyde 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:

3-pyridinecarboxaldehyde (500-22-1) + semicarbazide hydrochloride (563-41-7) → pyridine-3-carboxaldehyde semicarbazone (13370-80-4)

Guidance literature:

With anhydrous Sodium acetate; In water monomer;

Reference yield:

3-pyridinecarboxaldehyde (500-22-1) + semicarbazide hydrochloride (563-41-7) → Pyridin-3-aldehyd-semicarbazon (120445-71-8,13370-80-4)

Guidance literature:

With sodium acetate; In ethanol; for 1h; Yield given; Ambient temperature;

Reference yield:

pyridine-3-carbonitrile (100-54-9,121697-66-3,1232169-17-3,68271-95-4) → Pyridin-3-aldehyd-semicarbazon (120445-71-8,13370-80-4)

Guidance literature:

With hydrogenchloride; 3,6,9-trioxaundecane; tin(ll) chloride; und anschliessend mit Semicarbazid-hydrochlorid;

DOI:10.1021/jo01365a002

upstream raw materials:

pyridine-3-carbonitrile

semicarbazide hydrochloride

3-pyridinecarboxaldehyde

Downstream raw materials:

2-amino-5-(3-pyridinyl)-1,3,4-oxadiazole

Refernces

• 1、 Sharma, Laxmi Kant,Singh, Sushma,Singh. "Green synthesis of 2-amino-5-substituted-1,3,4-oxadiazoles at the platinum anode in acetic acid". experimental part. p. 110 - 114. Retrieved 2011/04/15.