2-(4-Methyl-5-thiazolyl)ethyl Hexanoate

Base Information

• Chemical Name: 2-(4-Methyl-5-thiazolyl)ethyl Hexanoate
• CAS No.: 94159-32-7
• Molecular Formula: C12H19NO2S
• Molecular Weight: 241.354
• Hs Code.: 2934100090
• European Community (EC) Number: 303-210-3
• UNII: 9J734HMU58
• DSSTox Substance ID: DTXSID00240863
• Nikkaji Number: J368.870D
• Wikidata: Q27272618
• Metabolomics Workbench ID: 45510
• Mol file: 94159-32-7.mol

Synonyms:2-(4-Methylthiazol-5-yl)ethyl hexanoate;94159-32-7;2-(4-Methyl-5-thiazolyl)ethyl Hexanoate;2-(4-methyl-1,3-thiazol-5-yl)ethyl hexanoate;sulfuryl hexanoate;UNII-9J734HMU58;9J734HMU58;EINECS 303-210-3;4-methyl-5-thiazolylethanylhexanoate;Caproic acid 2-(4-methylthiazol-5-yl)ethyl ester;SCHEMBL3505042;FEMA NO. 4279;DTXSID00240863;AMY40626;C12-H19-N-O2-S;MFCD09032914;AKOS015839672;2-(4-Methylthiazol-5-yl)ethylhexanoate;5-(2-Hexanoyloxyethyl)-4-methylthiazole;AS-64104;FT-0651704;M2491;D91604;A844848;hexanoic acid 2-(4-methyl-5-thiazolyl)ethyl ester;Q27272618;2-(4-METHYL-5-THIAZOLYL)ETHYL HEXANOATE [FHFI];HEXANOIC ACID, 2-(4-METHYL-5-THIAZOLYL)ETHYL ESTER

Chemical Property of 2-(4-Methyl-5-thiazolyl)ethyl Hexanoate

Chemical Property:

• Appearance/Colour: Colourless to yellow liquid; Roasted, nutty aroma
• Vapor Pressure: 0.000101mmHg at 25°C
• Refractive Index: 1.507
• Boiling Point: 143-145° (2 mm Hg)
• PKA: 3.18±0.10(Predicted)
• Flash Point: 158.3 °C
• PSA: 67.43000
• Density: 1.078 g/cm³
• LogP: 3.11750
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 241.11365002
• Heavy Atom Count: 16
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Methyl-5-thiazolyl)ethyl Hexanoate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OCCC1=C(N=CS1)C

Technology Process of 2-(4-Methyl-5-thiazolyl)ethyl Hexanoate

There total 1 articles about 2-(4-Methyl-5-thiazolyl)ethyl Hexanoate 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:

→ 1-hexanoyloxy-2-(4-methyl-thiazol-5-yl)-ethane (94159-32-7)

Guidance literature:

/BRN= 163792/;

DOI:10.1007/BF00912667

Reference yield: 41.0%

1-hexanoyloxy-2-(4-methyl-thiazol-5-yl)-ethane (94159-32-7) + Diphenylphosphine oxide (4559-70-0) → C24H28NO3PS

Guidance literature:

With tert-butylammonium hexafluorophosphate(V); In N,N-dimethyl-formamide; at 20 ℃; for 10h; Electrochemical reaction; Green chemistry;

DOI:10.1016/j.mcat.2021.112022