2-Isopropylthiazole

Base Information

• Chemical Name: 2-Isopropylthiazole
• CAS No.: 15679-10-4
• Molecular Formula: C6H9NS
• Molecular Weight: 127.21
• Hs Code.: 2934100090
• European Community (EC) Number: 239-756-3
• DSSTox Substance ID: DTXSID90166129
• Nikkaji Number: J248.728D
• Wikidata: Q72486327
• Mol file: 15679-10-4.mol

Synonyms:2-Isopropylthiazole;15679-10-4;2-Isopropyl-2H-3-thiazole;2-propan-2-yl-1,3-thiazole;Thiazole, 2-(1-methylethyl)-;EINECS 239-756-3;2-Isopropyl-1,3-thiazole;isopropyl thiazole;2-iso-propyl-thiazole;SCHEMBL557653;DTXSID90166129;2-(propan-2-yl)-1,3-thiazole;MFCD02181138;AKOS006279675;BS-21563;CS-0447438;FT-0688426;A848153

Chemical Property of 2-Isopropylthiazole

Chemical Property:

• Appearance/Colour: Colorless to yellow clear liquid
• Vapor Pressure: 4.23mmHg at 25°C
• Refractive Index: 1.516
• Boiling Point: 153.7 °C at 760 mmHg
• PKA: 3.31±0.10(Predicted)
• Flash Point: 42.6 °C
• PSA: 41.13000
• Density: 1.04 g/cm³
• LogP: 2.26650
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 127.04557046
• Heavy Atom Count: 8
• Complexity: 72.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Isopropylthiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NC=CS1

Technology Process of 2-Isopropylthiazole

There total 3 articles about 2-Isopropylthiazole 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: 19.5%

2-chloroethanal (107-20-0) + thioisobutyramide (13515-65-6) → 2-isopropyl-1,3-thiazole (15679-10-4)

Guidance literature:

With triethylamine; In acetone; for 16h;

Reference yield:

5-Isopropenyl-thiazole → 2-isopropyl-1,3-thiazole (15679-10-4)

Guidance literature:

With hydrogen; 5% Pd(II)/C(eggshell); In methanol; at 20 ℃; for 2h;

Reference yield:

→ 2-isopropyl-1,3-thiazole (15679-10-4)

Guidance literature:

2-Isopropyl-Δ³-thiazolin d. Red. mit Chloranil;

upstream raw materials:

2-chloroethanal

thioisobutyramide

Downstream raw materials:

5-bromo-2-isopropylthiazole

C₄₂H₅₁FN₄O₇S

C₄₂H₅₀ClFN₄O₇S

2-isopropyl-4-phenylthiazole

Refernces

• 1、 -. "4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2". Page/Page column 47-48. . Retrieved 2010/06/19.