2-Propionylthiazole

Base Information

• Chemical Name: 2-Propionylthiazole
• CAS No.: 43039-98-1
• Molecular Formula: C6H7NOS
• Molecular Weight: 141.19
• Hs Code.: 2934100090
• European Community (EC) Number: 610-101-7
• UNII: 05CB62UH9K
• DSSTox Substance ID: DTXSID90195651
• Nikkaji Number: J1.539.213D
• Wikidata: Q27236105
• Metabolomics Workbench ID: 47657
• Mol file: 43039-98-1.mol

Synonyms:2-Propionylthiazole;43039-98-1;1-(Thiazol-2-yl)propan-1-one;1-(1,3-thiazol-2-yl)propan-1-one;2-Propionyl thiazole;1-Propanone, 1-(2-thiazolyl)-;Thiazole, 2-propionyl-;Ethyl 2-thiazolyl ketone;1-(2-Thiazolyl)-1-propanone;FEMA No. 3611;2-propionylthiazol;2-Propanoylthiazole;BRN 0507838;2-Propanoyl-thiazole;2-(1-propanonyl)thiazole;UNII-05CB62UH9K;05CB62UH9K;2-propanylthiazole;2-Propionyl-Thiazole;2-Thiazolyl-1-propanone;Thiazole, 2-(1-oxopropyl);PROPIONYLTHIAZOLE, 2-;SCHEMBL3504222;2-propionylthiazole, AldrichCPR;FEMA 3611;1-propanona, 1-(2-tiazolil)-;DTXSID90195651;1-(Thiazole-2-yl)-1-propanone;2-PROPIONYLTHIAZOLE [FHFI];MFCD01681404;1-(2-Thiazolyl)-1-propanone, 9CI;AKOS000320677;DS-6098;LS-3064;CS-0152648;FT-0653157;P2247;F53520;EN300-1268903;A826116;Q27236105

Chemical Property of 2-Propionylthiazole

Chemical Property:

• Vapor Pressure: 0.0836mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 226.1 °C at 760 mmHg
• PKA: -0.03±0.10(Predicted)
• Flash Point: 90.5 °C
• PSA: 58.20000
• Density: 1.174g/cm³
• LogP: 1.73580
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Not miscible or difficult to mix with water.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 141.02483502
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

99%min ^*data from raw suppliers

1-(Thiazol-2-yl)propan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-36/37/38-41-37/38-22
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=NC=CS1
• Uses: Used as flavoring agent and fragrance chemical compounds.

Technology Process of 2-Propionylthiazole

There total 3 articles about 2-Propionylthiazole 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: 64.0%

1-(thiazol-2-yl)-prop-2-en-1-ol (112969-95-6) → 2-propionylthiazole (43039-98-1)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; for 9h; Inert atmosphere;

DOI:10.1016/j.tet.2011.03.052

Reference yield:

2-bromo-1,3-thiazole (3034-53-5,215777-74-5) + N,N-dimethyl-propanamide (758-96-3) → 2-propionylthiazole (43039-98-1)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1.) ether, hexane, -70 deg C, 1.5 h, 2.) ether, from -70 deg C to RT, overnight;

DOI:10.1021/jm00111a038

Reference yield:

2-(1-hydroxypropyl)thiazole (89464-29-9) → 2-propionylthiazole (43039-98-1)

Guidance literature:

With chromium(VI) oxide;

upstream raw materials:

2-(1-hydroxypropyl)thiazole

2-bromo-1,3-thiazole

N,N-dimethyl-propanamide

1-(thiazol-2-yl)-prop-2-en-1-ol

Downstream raw materials:

2-{1-Methoxy-1-[4-(naphthalen-2-ylmethoxy)-phenyl]-propyl}-thiazole

2-{1-Methoxy-1-[2-(naphthalen-2-ylmethoxy)-phenyl]-propyl}-thiazole

1-[2-(Naphthalen-2-ylmethoxy)-phenyl]-1-thiazol-2-yl-propan-1-ol

1-[4-(Naphthalen-2-ylmethoxy)-phenyl]-1-thiazol-2-yl-propan-1-ol

Refernces

• 1、 Bird,Bruneau,Crawley,Edwards,Foster,Girodeau,Kingston,McMillan. "(Methoxyalkyl)thiazoles: A new series of potent, selective, and orally active 5-lipoxygenase inhibitors displaying high enantioselectivity". . p. 2176 - 2186. Retrieved 2007/10/02.