N-Phenyl-2-(pyridine-2-carbonyl)hydrazine-1-carbothioamide

Base Information

• Chemical Name: N-Phenyl-2-(pyridine-2-carbonyl)hydrazine-1-carbothioamide
• CAS No.: 60838-16-6
• Molecular Formula: C13H12 N4 O S
• Molecular Weight: 272.33
• NSC Number: 98923
• DSSTox Substance ID: DTXSID10418915

Synonyms:60838-16-6;NSC98923;DTXSID10418915;NSC-98923;N-phenyl-2-(pyridin-2-ylcarbonyl)hydrazinecarbothioamide;N-Phenyl-2-(pyridine-2-carbonyl)hydrazine-1-carbothioamide

Chemical Property of N-Phenyl-2-(pyridine-2-carbonyl)hydrazine-1-carbothioamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.357g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 272.07318219
• Heavy Atom Count: 19
• Complexity: 318

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=N2

Technology Process of N-Phenyl-2-(pyridine-2-carbonyl)hydrazine-1-carbothioamide

There total 3 articles about N-Phenyl-2-(pyridine-2-carbonyl)hydrazine-1-carbothioamide 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: 85.0%

picolinic acid hydrazide (1452-63-7) + phenyl isothiocyanate (103-72-0) → N-phenyl-2-picolinoylhydrazinecarbothioamide (60838-16-6)

Guidance literature:

In ethanol; for 5h; Reflux;

DOI:10.1007/s00044-019-02442-1

Reference yield:

ethyl-2-picolinate (2524-52-9,1228273-66-2) → N-phenyl-2-picolinoylhydrazinecarbothioamide (60838-16-6)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate / ethanol / Reflux

2: ethanol / 5 h / Reflux

With hydrazine hydrate; In ethanol;

DOI:10.1007/s00044-019-02442-1

Reference yield:

→ N-phenyl-2-picolinoylhydrazinecarbothioamide (60838-16-6)

Guidance literature:

2-(C(O)-NHNH2)-Pyridin, Ph-N=C=S, A.;

upstream raw materials:

picolinic acid hydrazide

phenyl isothiocyanate

ethyl-2-picolinate

Downstream raw materials:

Cr(C₁₃H₁₁N₄OS)Cl₂(H₂O)2

Co(C₁₃H₁₁N₄OS)(CH₃COO)(H₂O)2

Cu(C₁₃H₁₁N₄OS)Cl(H₂O)

4-phenyl-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

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