2,5-Diethylthiazole

Base Information

• Chemical Name: 2,5-Diethylthiazole
• CAS No.: 15729-76-7
• Molecular Formula: C7H11 N S
• Molecular Weight: 141.237
• Hs Code.: 2934100090
• European Community (EC) Number: 239-823-7
• UNII: 4U6DG183QZ
• DSSTox Substance ID: DTXSID10166242
• Nikkaji Number: J108.866A
• Wikidata: Q27260507
• Metabolomics Workbench ID: 48828
• Mol file: 15729-76-7.mol

Synonyms:2,5-Diethylthiazole;15729-76-7;2,5-Diethyl-1,3-thiazole;Thiazole, 2,5-diethyl-;EINECS 239-823-7;UNII-4U6DG183QZ;4U6DG183QZ;2,5-Diethyl thiazole;SCHEMBL2822381;2,5-Diethyl-1,3-thiazole #;DTXSID10166242;AKOS006275605;BUTYL4-N,N-DIMETHYLAMINOBENZOATE;FT-0637266;Q27260507

Chemical Property of 2,5-Diethylthiazole

Chemical Property:

• Vapor Pressure: 0.67mmHg at 25°C
• Boiling Point: 192.8°Cat760mmHg
• PKA: 3.78±0.10(Predicted)
• Flash Point: 67.1°C
• PSA: 41.13000
• Density: 1.025g/cm³
• LogP: 2.26790
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 141.06122053
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

99% ^*data from raw suppliers

2,5-Diethylthiazole 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CN=C(S1)CC

Technology Process of 2,5-Diethylthiazole

There total 21 articles about 2,5-Diethylthiazole 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: 54.0%

(+/-)-2-Methylheptan-4-ol (1838-73-9) → 3-methyl-4-heptanone (15726-15-5)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In acetonitrile; for 0.333333h; Microwave irradiation;

DOI:10.1021/acs.jafc.1c01875

Reference yield: 38.0%

thiopropanamide (631-58-3) + 2-bromobutanal (24764-97-4,58031-09-7) → 2,5-diethylthiazole (15729-76-7)

Guidance literature:

With magnesium carbonate; In 1,4-dioxane; at 100 ℃; for 3h;

DOI:10.1016/j.tet.2008.02.064

Reference yield: 0.5%

4-heptanone (123-19-3) + methyl iodide (74-88-4) → 3-methyl-4-heptanone (15726-15-5) + 3-butyl ketone (19549-84-9)

Guidance literature:

With manganese(II) bromide; lithium hexamethyldisilazane; In tetrahydrofuran; at 22 ℃; for 4h;

DOI:10.1016/S0040-4039(00)60135-1

upstream raw materials:

2,5-diethyl-2,5-dihydro-thiazole

2-bromobutanal

Propionamid

thiopropanamide

Refernces

• 1、 Le, Van-Dung,Dang, Chi-Hien,Nguyen, Cong-Hao,Nguyen, Hong-Ung,Nguyen, Thanh-Danh. "Synthesis of β-Methyl Alcohols: Influence of Alkyl Chain Length on Diastereoselectivity and New Attractants of Rhynchophorus ferrugineus". . p. 5882 - 5886. Retrieved 2021/06/21.
• 2、 Bates, Robert B.,Taylor, Stuart R.. "Dialkylation of Ketone Dianions". . p. 245 - 246. Retrieved 2007/10/02.