Ethanimidamide, N,N-diethyl-N'-[(phenylamino)thioxomethyl]-

Base Information

• Chemical Name: Ethanimidamide, N,N-diethyl-N'-[(phenylamino)thioxomethyl]-
• CAS No.: 84764-66-9
• Molecular Formula: C13H19N3S
• Molecular Weight: 249.38
• DSSTox Substance ID: DTXSID50399734
• Nikkaji Number: J2.655.923E

Synonyms:84764-66-9;Ethanimidamide, N,N-diethyl-N'-[(phenylamino)thioxomethyl]-;DTXSID50399734;AKOS030749042;1-Phenyl-3-[1-(diethylamino)ethylidene]thiourea

Chemical Property of Ethanimidamide, N,N-diethyl-N'-[(phenylamino)thioxomethyl]-

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 249.12996879
• Heavy Atom Count: 17
• Complexity: 266

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=NC(=S)NC1=CC=CC=C1)C

Technology Process of Ethanimidamide, N,N-diethyl-N'-[(phenylamino)thioxomethyl]-

There total 2 articles about Ethanimidamide, N,N-diethyl-N'-[(phenylamino)thioxomethyl]- 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:

N,N-diethylacetimidamide (14277-06-6) + phenyl isothiocyanate (103-72-0) → C13H19N3S (84764-66-9)

Guidance literature:

at 0 - 5 ℃;

DOI:10.1016/j.ejmech.2008.10.031

Reference yield:

aniline (62-53-3) → C13H19N3S (84764-66-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / tetrahydrofuran / 0 - 20 °C

1.2: 1.67 h / 0 - 20 °C

1.3: 0.17 h

2.1: N,N-dimethyl-formamide / 1 h / 20 - 25 °C

With triethylamine; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1055/s-0032-1317504

Reference yield: 82.0%

C13H19N3S (84764-66-9) + 2-chloro-1-(imidazo[1,2-a]pyridin-3-yl)ethan-1-one (749204-15-7) → imidazo[1,2-a]pyridin-3-yl(4-methyl-2-(phenylamino)thiazol-5-yl)methanone

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.bmcl.2017.10.060

upstream raw materials:

N,N-diethylacetimidamide

phenyl isothiocyanate

aniline

Downstream raw materials:

C₁₉H₂₄N₄

3-(4-acetyl-phenyl)-2-(4-methyl-2-phenylamino-thiazol-5-yl)-3H-quinazolin-4-one

2-(4-methyl-2-phenylamino-thiazol-5-yl)-3-phenyl-3H-quinazolin-4-one

3-(4-chloro-phenyl)-2-(4-methyl-2-phenylamino-thiazol-5-yl)-3H-quinazolin-4-one

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