1-methyl-3-phenyl-1-[(E)-1-pyridin-2-ylethylideneamino]thiourea

Base Information

• Chemical Name: 1-methyl-3-phenyl-1-[(E)-1-pyridin-2-ylethylideneamino]thiourea
• CAS No.: 83476-90-8
• Molecular Formula: C15H16 N4 S
• Molecular Weight: 284.3793
• NSC Number: 289100
• DSSTox Substance ID: DTXSID10429965

Synonyms:NSC289100;83476-90-8;DTXSID10429965;NSC-289100

Chemical Property of 1-methyl-3-phenyl-1-[(E)-1-pyridin-2-ylethylideneamino]thiourea

Chemical Property:

• Boiling Point: 419.2°Cat760mmHg
• Flash Point: 207.3°C
• Density: 1.14g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 284.10956770
• Heavy Atom Count: 20
• Complexity: 350

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NN(C)C(=S)NC1=CC=CC=C1)C2=CC=CC=N2
• Isomeric SMILES: C/C(=N\N(C)C(=S)NC1=CC=CC=C1)/C2=CC=CC=N2

Technology Process of 1-methyl-3-phenyl-1-[(E)-1-pyridin-2-ylethylideneamino]thiourea

There total 2 articles about 1-methyl-3-phenyl-1-[(E)-1-pyridin-2-ylethylideneamino]thiourea 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-acetylpyridine (1122-62-9) → 1-methyl-N-phenyl-2-<1-(2-pyridyl)ethylidene>hydrazinecarbothioamide (83476-90-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 0.5 h / Heating

2: 4 h / Heating

DOI:10.1021/jm00355a008

Reference yield:

N-Methyl-N'-[1-pyridin-2-yl-eth-(E)-ylidene]-hydrazine (344326-01-8) + phenyl isothiocyanate (103-72-0) → 1-methyl-N-phenyl-2-<1-(2-pyridyl)ethylidene>hydrazinecarbothioamide (83476-90-8)

Guidance literature:

for 4h; Yield given; Heating;

DOI:10.1021/jm00355a008

Reference yield: 40.0%

1-methyl-N-phenyl-2-<1-(2-pyridyl)ethylidene>hydrazinecarbothioamide (83476-90-8) → 1-methyl-N-phenyl-2-<1-(2-pyridyl)ethyl>hydrazinecarbothioamide (83476-91-9)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 50 ℃;

DOI:10.1021/jm00355a008

upstream raw materials:

N-Methyl-N'-[1-pyridin-2-yl-eth-(E)-ylidene]-hydrazine

phenyl isothiocyanate

2-acetylpyridine

Downstream raw materials:

1-methyl-N-phenyl-2-<1-(2-pyridyl)ethyl>hydrazinecarbothioamide

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