4,5-Dimethyl-2-ethyl-3-thiazoline

Base Information

• Chemical Name: 4,5-Dimethyl-2-ethyl-3-thiazoline
• CAS No.: 76788-46-0
• Molecular Formula: C7H13NS
• Molecular Weight: 143.253
• Hs Code.: 2934100090
• European Community (EC) Number: 278-551-3
• UNII: G7XZR26U8K
• DSSTox Substance ID: DTXSID10868416
• Nikkaji Number: J309.326C
• Wikidata: Q27278906
• Metabolomics Workbench ID: 47665
• Mol file: 76788-46-0.mol

Synonyms:76788-46-0;4,5-Dimethyl-2-ethyl-3-thiazoline;2-ethyl-4,5-dimethyl-2,5-dihydrothiazole;2-Ethyl-2,5-dihydro-4,5-dimethylthiazole;2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole;2-Ethyl-4,5-dimethyl-3-thiazoline;FEMA No. 3620;2-Ethyl-4,5-dimethyl thiazoline;3-Thiazoline, 4,5-dimethyl-2-ethyl-;BRN 0108717;EINECS 278-551-3;Thiazole, 2,5-dihydro-4,5-dimethyl-2-ethyl-;Thiazole, 2-ethyl-2,5-dihydro-4,5-dimethyl-;UNII-G7XZR26U8K;3-Thiazoline, 2-ethyl-4,5-dimethyl-;G7XZR26U8K;2-Ethyl-4,5-dimethyl-3-thiazoline, cis + trans;4-27-00-00937 (Beilstein Handbook Reference);SCHEMBL539022;FEMA 3620;DTXSID10868416;CHEBI:193657;MFCD01680821;AKOS015900305;LS-2682;AS-76488;2,5-Dihydro-4,5-dimethyl-2-ethyl-Thiazole;2-Ethyl-2,5-dihydro-4,5-dimethyl-Thiazole;FT-0655486;A838831;(+/-)-2-ETHYL-4,5-DIMETHYL-3-THIAZOLINE;4,5-DIMETHYL-2-ETHYL-3-THIAZOLINE [FHFI];W-104344;Q27278906;2-ETHYL-4,5-DIMETHYL-3-THIAZOLINE, (+/-)-

Chemical Property of 4,5-Dimethyl-2-ethyl-3-thiazoline

Chemical Property:

• Vapor Pressure: 0.468mmHg at 25°C
• Refractive Index: 1.496
• Boiling Point: 200.1 °C at 760 mmHg
• PKA: 6.97±0.60(Predicted)
• Flash Point: 66 ºC
• PSA: 37.66000
• Density: 0.971
• LogP: 1.75430
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 143.07687059
• Heavy Atom Count: 9
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

2-Ethyl-4,5-dimethyl-2,5-dihydrothiazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1N=C(C(S1)C)C
• Use Description: 4,5-DIMETHYL-2-ETHYL-3-THIAZOLINE has diverse applications in various fields. In the realm of chemistry, it serves as a versatile precursor or intermediate compound in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals due to its unique structural properties. In the fragrance and perfume industry, this compound plays a significant role as a key ingredient in creating various scents and flavors. Its sulfur-containing ring structure imparts distinctive notes to fragrances. Additionally, it has applications in the field of analytical chemistry, where it can be used as a reference standard or reagent in chemical analysis techniques. Overall, 4,5-DIMETHYL-2-ETHYL-3-THIAZOLINE serves as a valuable building block for chemical synthesis, contributes to the creation of pleasant fragrances, and aids in analytical processes where its distinct properties are beneficial.

Technology Process of 4,5-Dimethyl-2-ethyl-3-thiazoline

There total 1 articles about 4,5-Dimethyl-2-ethyl-3-thiazoline 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:

3,3'-disulfanediyl-bis-butan-2-one (90113-24-9) + propionaldehyde (123-38-6) → 2-ethyl-4,5-dimethyl-2,5-dihydro-thiazole (76788-46-0)

Guidance literature:

With ammonia; weiteres Edukt: H₂S;

upstream raw materials:

3,3'-disulfanediyl-bis-butan-2-one

propionaldehyde