2-(2-Amino-1,3-thiazol-4-yl)-1-phenylethanone

Base Information

• Chemical Name: 2-(2-Amino-1,3-thiazol-4-yl)-1-phenylethanone
• CAS No.: 57626-32-1
• Molecular Formula: C11H10N2OS
• Molecular Weight: 218.27
• DSSTox Substance ID: DTXSID90364284
• Nikkaji Number: J363.356J
• Wikidata: Q82148144
• Mol file: 57626-32-1.mol

Synonyms:2-(2-amino-1,3-thiazol-4-yl)-1-phenylethanone;57626-32-1;2-(2-amino-1,3-thiazol-4-yl)-1-phenylethan-1-one;2-(2-Aminothiazol-4-yl)-1-phenylethanone;Oprea1_760988;DTXSID90364284;HMS1719L05;MFCD02706789;AKOS000117482;2-Amino-4-(phenylcarbonylmethyl)thiazole;EN300-10069;Z56347150;F0328-0018

Chemical Property of 2-(2-Amino-1,3-thiazol-4-yl)-1-phenylethanone

Chemical Property:

• Vapor Pressure: 4.23E-07mmHg at 25°C
• Boiling Point: 415.1°Cat760mmHg
• Flash Point: 204.8°C
• PSA: 84.22000
• Density: 1.309g/cm³
• LogP: 2.73190
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 218.05138412
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-(2-amino-1,3-thiazol-4-yl)-1-phenylethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CC2=CSC(=N2)N

Technology Process of 2-(2-Amino-1,3-thiazol-4-yl)-1-phenylethanone

There total 6 articles about 2-(2-Amino-1,3-thiazol-4-yl)-1-phenylethanone 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: 61.0%

4-bromo-1-phenylbut-2-yn-1-one (1190928-72-3) + thiourea (17356-08-0) → 2-amino-4-phenacylthiazole (57626-32-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 130 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1055/s-0029-1217700

Reference yield:

1-phenyl-4-bromo-1,3-butanedione (57626-31-0) + thiourea (17356-08-0) → 2-amino-4-phenacylthiazole (57626-32-1)

Guidance literature:

In ethanol; for 2h; Heating;

Reference yield:

C13H16O2Si → 2-amino-4-phenacylthiazole (57626-32-1)

Guidance literature:

Multi-step reaction with 4 steps

1: silica gel

2: triethylamine / dichloromethane

3: lithium bromide / tetrahydrofuran; dichloromethane

4: potassium carbonate / N,N-dimethyl-formamide / 0.17 h / 130 °C / Microwave irradiation

With silica gel; potassium carbonate; triethylamine; lithium bromide; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1055/s-0029-1217700

upstream raw materials:

1-phenyl-4-bromo-1,3-butanedione

thiourea

4-bromo-1-phenylbut-2-yn-1-one

4-hydroxy-1-phenylbut-2-yn-1-one

Downstream raw materials:

4-phenethyl-thiazol-2-ylamine

2-amino-4-(β-hydroxy-β-phenylethyl)thiazole

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