Thiazolium, 3-ethyl-4,5-dihydro-2-methyl-, iodide

Base Information

• Chemical Name: Thiazolium, 3-ethyl-4,5-dihydro-2-methyl-, iodide
• CAS No.: 54654-71-6
• Molecular Formula: C6H12 N S . I
• Molecular Weight: 257.138
• Hs Code.: 2934100090
• European Community (EC) Number: 259-279-4
• DSSTox Substance ID: DTXSID40886108
• Mol file: 54654-71-6.mol

Synonyms:54654-71-6;Thiazolium, 3-ethyl-4,5-dihydro-2-methyl-, iodide;3-Ethyl-2-methylthiazolinium iodide;EINECS 259-279-4;3-ETHYL-2-METHYL-2-THIAZOLINIUM IODIDE, 98;3-ethyl-2-methyl-4,5-dihydro-1,3-thiazol-3-ium iodide;3-ethyl-2-methyl-4,5-dihydro-1,3-thiazol-3-ium;iodide;Thiazolium, 3-ethyl-4,5-dihydro-2-methyl-, iodide (1:1);3-Ethyl-4,5-dihydro-2-methylthiazolium iodide;C6H12NS.I;SCHEMBL6626707;DTXSID40886108;C6-H12-N-S.I;3-Ethyl-2-methyl-2-thiazolinium iodide,98;2-methyl-3-ethyl-4,5-dihydrothiazolium iodide;3-ETHYL-2-METHYL-2-THIAZOLINIUMIODIDE,98

Chemical Property of Thiazolium, 3-ethyl-4,5-dihydro-2-methyl-, iodide

Chemical Property:

• Melting Point: 191-193 °C(lit.)
• PSA: 28.31000
• LogP: -1.85320
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 256.97352
• Heavy Atom Count: 9
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

3-ETHYL-2-METHYL-2-THIAZOLINIUM IODIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+]1=C(SCC1)C.[I-]

Technology Process of Thiazolium, 3-ethyl-4,5-dihydro-2-methyl-, iodide

There total 3 articles about Thiazolium, 3-ethyl-4,5-dihydro-2-methyl-, iodide 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:

2-methyl-4,5-dihydro-thiazole (2346-00-1) + ethyl iodide (75-03-6) → 2-methyl-3-ethyl-4,5-dihydrothiazolium iodide (54654-71-6)

Guidance literature:

DOI:10.1021/ja01295a041

Reference yield:

ethyl-(2-bromo-ethyl)-amine; hydrobromide (70299-78-4) + thioacetamide (62-55-5) → 2-methyl-3-ethyl-4,5-dihydrothiazolium iodide (54654-71-6)

Guidance literature:

Behandeln des Reaktionsprodukts mit NaI in Isopropylalkohol;

Reference yield:

→ 2-methyl-3-ethyl-4,5-dihydrothiazolium iodide (54654-71-6)

Guidance literature:

2-Methyl-thiazolin,EtJ/ΔT;

DOI:10.1021/je60022a036

upstream raw materials:

2-methyl-4,5-dihydro-thiazole

ethyl iodide

ethyl-(2-bromo-ethyl)-amine; hydrobromide

thioacetamide

Downstream raw materials:

3-ethyl-5-[2-(3-ethyl-thiazolidin-2-ylidene)-ethylidene]-2-thioxo-thiazolidin-4-one

2-[1-(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-yliden)-2-(3-ethyl-thiazolidin-2-yliden)-ethyl]-benzoic acid