2-Acetyl-2-thiazoline

Base Information

• Chemical Name: 2-Acetyl-2-thiazoline
• CAS No.: 29926-41-8
• Molecular Formula: C5H7NOS
• Molecular Weight: 129.183
• Hs Code.: 2934100090
• European Community (EC) Number: 629-682-3
• UNII: TI3K1Q5Y1T
• DSSTox Substance ID: DTXSID60184037
• Nikkaji Number: J668.744J
• Wikidata: Q27161906
• Metabolomics Workbench ID: 46105
• Mol file: 29926-41-8.mol

Synonyms:2-acetyl-2-thiazoline

Chemical Property of 2-Acetyl-2-thiazoline

Chemical Property:

• Appearance/Colour: Light yellow liquid
• Vapor Pressure: 0.0942mmHg at 25°C
• Melting Point: 26-30 °C(lit.)
• Refractive Index: n20/D 1.5305(lit.)
• Boiling Point: 223.8 °C at 760 mmHg
• PKA: 1.45±0.10(Predicted)
• Flash Point: 89.2 °C
• PSA: 54.73000
• Density: 1.29 g/cm³
• LogP: 0.15630
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 129.02483502
• Heavy Atom Count: 8
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

2-Acetyl-2-thiazoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=NCCS1
• Description: May contain ~1% acetic acid. Organoleptic characteristics: green onion, herbal, grassy.

Technology Process of 2-Acetyl-2-thiazoline

There total 5 articles about 2-Acetyl-2-thiazoline 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: 70.0%

2-acetyl-1,3-thiazolidine (67399-73-9) → 1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone (29926-41-8)

Guidance literature:

With tert.-butylhydroperoxide; ruthenium trichloride; N,N,N,N,-tetramethylethylenediamine; In acetonitrile; at 20 ℃; for 4h;

DOI:10.1016/S0040-4039(00)00419-6

Reference yield: 40.0%

2-ethyl-2-thiazoline (16982-46-0) → 1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone (29926-41-8)

Guidance literature:

2-ethyl-2-thiazoline; With tert.-butylhydroperoxide; selenium(IV) oxide; In dichloromethane; at 20 ℃; for 3h;

With triphenylphosphine; In dichloromethane; at 0 ℃; for 12h;

DOI:10.1016/j.tet.2007.03.089

Reference yield:

2-(1-hydroxyethyl)-4,5-dihydrothiazole → 1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone (29926-41-8)

Guidance literature:

In water; at 100 ℃; for 0.166667h; Thermodynamic data; Product distribution; E(a); var. temp., time and pH;

DOI:10.1021/jf00059a032

upstream raw materials:

2-mercaptoethylamine hydrochloride

2-oxopropanal

2-acetyl-1,3-thiazolidine

2-ethyl-2-thiazoline