3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide

Base Information

• Chemical Name: 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide
• CAS No.: 54016-70-5
• Molecular Formula: C8H14NOS^.Br
• Molecular Weight: 252.175
• Hs Code.: 29341000
• European Community (EC) Number: 258-925-2
• DSSTox Substance ID: DTXSID10968844
• Mol file: 54016-70-5.mol

Synonyms:AC 164;AC-164;AC164

Chemical Property of 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide

Chemical Property:

• Appearance/Colour: White to offer-white powder
• Melting Point: 82-87 °C(lit.)
• PSA: 52.35000
• LogP: -2.09730
• Storage Temp.: Store below +30°C.
• Water Solubility.: very faint turbidity
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 250.99795
• Heavy Atom Count: 12
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC[N+]1=CSC(=C1C)CCO.[Br-]
• Uses: 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide is used in the novel synthesis of benzoin catalyzed by thiazolium salts.

Technology Process of 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide

There total 2 articles about 3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide 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:

5-hydroxyethyl-4-methylthiazole (137-00-8,8042-97-5) + ethyl bromide (74-96-4) → 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide (54016-70-5)

Guidance literature:

In N,N-dimethyl-formamide; at 120 ℃; Microwave irradiation;

DOI:10.1039/c2ob25928a

Reference yield:

→ 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide (54016-70-5)

Guidance literature:

Reference yield: 87.0%

4-fluorobenzaldehyde (459-57-4) + 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide (54016-70-5) + dimethyl acetylenedicarboxylate (762-42-5) → dimethyl 3-(ethylamino)-2-(4-fluorophenyl)furan-4,5-dicarboxylate

Guidance literature:

With sodium hydride; In dichloromethane; at -78 - 0 ℃; for 5h;

DOI:10.1021/ol0501368

upstream raw materials:

5-hydroxyethyl-4-methylthiazole

ethyl bromide

Downstream raw materials:

1-(3,5-dibromo-4-methoxyphenyl)-1,4-pentanedione

1-(4-methoxyphenyl)pentane-1,4-dione

1-(4-methoxyphenyl)-3-methylpentane-1,4-dione

1-(4-methoxyphenyl)hexane-1,4-dione

Refernces

• 1、 Bertolasi, Valerio,Bortolini, Olga,Donvito, Adelaide,Fantin, Giancarlo,Fogagnolo, Marco,Giovannini, Pier Paolo,Massi, Alessandro,Pacifico, Salvatore. "Unexpected reactivity of diaryl α-diketones with thiazolium carbenes: Discovery of a novel multicomponent reaction for the facile synthesis of 1,4-thiazin-3-ones". experimental part. p. 6579 - 6586. Retrieved 2012/09/08.
• 2、 -. "Method and composition for rejuvenating hair, nails, tissues, cells and organs by ex-vivo or immersive treatment". . . Retrieved 2008/06/13.