1-(5-Methylpyridin-2-yl)-3-phenylthiourea

Base Information

• Chemical Name: 1-(5-Methylpyridin-2-yl)-3-phenylthiourea
• CAS No.: 53385-82-3
• Molecular Formula: C₁₃H₁₃N₃S
• Molecular Weight: 243.332
• DSSTox Substance ID: DTXSID00356872
• Nikkaji Number: J454.480C
• Wikidata: Q82136494
• Mol file: 53385-82-3.mol

Synonyms:BAS 00028725;1-(5-methylpyridin-2-yl)-3-phenylthiourea;53385-82-3;Oprea1_341979;DTXSID00356872;STK058126;AKOS000591743;NCGC00339896-01;AB01332713-02;SR-01000316604;SR-01000316604-1

Chemical Property of 1-(5-Methylpyridin-2-yl)-3-phenylthiourea

Chemical Property:

• PSA: 76.08000
• LogP: 3.49240
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 243.08301860
• Heavy Atom Count: 17
• Complexity: 251

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(C=C1)NC(=S)NC2=CC=CC=C2

Technology Process of 1-(5-Methylpyridin-2-yl)-3-phenylthiourea

There total 2 articles about 1-(5-Methylpyridin-2-yl)-3-phenylthiourea 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: 75.0%

(5-methyl-pyridin-2-yl)amine (1603-41-4) + phenyl isothiocyanate (103-72-0) → N-(5-methyl-2-pyridyl)-N'-(phenyl)-thiourea (53385-82-3)

Guidance literature:

In ethanol; for 1h; Heating;

DOI:10.1016/S0022-2860(01)00934-6

Reference yield:

→ N-(5-methyl-2-pyridyl)-N'-(phenyl)-thiourea (53385-82-3)

Guidance literature:

2-Amino-5-methylpyridin, Phenylisothiocyanat;

Reference yield:

N-(5-methyl-2-pyridyl)-N'-(phenyl)-thiourea (53385-82-3) → [4-(3,4-dimethoxyphenyl)-thiazol-2-yl]-(5-methylpyridin-2-yl)-amine (757195-97-4)

Guidance literature:

Multi-step reaction with 2 steps

1: water; sodium hydroxide / methanol / 80 °C

2: ethanol / Reflux

With water; sodium hydroxide; In methanol; ethanol; 2: Hantzsch type synthesis;

DOI:10.1021/jm101250y

upstream raw materials:

(5-methyl-pyridin-2-yl)amine

phenyl isothiocyanate

Downstream raw materials:

Cu(bis{N-2-⁽⁵⁾picolyl-N'-(phenyl)thiourea})⁽²⁺⁾

[4-(3,4-dimethoxyphenyl)-thiazol-2-yl]-(5-methylpyridin-2-yl)-amine

[4-(4-methoxyphenyl)-thiazol-2-yl]-(5-methylpyridin-2-yl)-amine

[4-(2-methoxyphenyl)-thiazol-2-yl]-(5-methylpyridin-2-yl)-amine