2-Ethyl-4,5-dihydrothiazole

Base Information

• Chemical Name: 2-Ethyl-4,5-dihydrothiazole
• CAS No.: 16982-46-0
• Molecular Formula: C5H9 N S
• Molecular Weight: 115.199
• Hs Code.: 2934100090
• European Community (EC) Number: 241-062-0
• DSSTox Substance ID: DTXSID90168764
• Nikkaji Number: J318.317C
• Wikidata: Q83038383
• Mol file: 16982-46-0.mol

Synonyms:2-Ethyl-4,5-dihydrothiazole;2-Ethylthiazoline;16982-46-0;2-Ethyl-4,5-dihydro-1,3-thiazole;Thiazole, 2-ethyl-4,5-dihydro-;Thiazole, 4,5-dihydro-2-ethyl-;4,5-Dihydro-2-ethylthiazole;BRN 0105466;EINECS 241-062-0;Ethyl-2 delta-2 thiazoline [French];Ethyl-2 delta-2 thiazoline;2-Ethyl-2-thiazoline;2-Ethylthiazolin;2-Thiazoline, 2-ethyl-;SCHEMBL932881;DTXSID90168764;LS-150949;2-Thiazoline, 2-ethyl- (6CI,7CI,8CI);FT-0719325

Chemical Property of 2-Ethyl-4,5-dihydrothiazole

Chemical Property:

• Vapor Pressure: 3.51mmHg at 25°C
• Melting Point: 160-163 °C
• Boiling Point: 157.8°Cat760mmHg
• PKA: 5.14±0.10(Predicted)
• Flash Point: 49.2°C
• PSA: 37.66000
• Density: 1.12g/cm³
• LogP: 0.97730
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 115.04557046
• Heavy Atom Count: 7
• Complexity: 88.1

Purity/Quality:

99% ^*data from raw suppliers

2-ETHYL-4,5-DIHYDROTHIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NCCS1

Technology Process of 2-Ethyl-4,5-dihydrothiazole

There total 9 articles about 2-Ethyl-4,5-dihydrothiazole 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: 72.0%

cystamine hydrochloride + propiononitrile (107-12-0) → 2-ethyl-2-thiazoline (16982-46-0)

Guidance literature:

With ethanol; ammonium acetate; sodium; at 0 ℃; for 17h; Schlenk technique; Reflux;

DOI:10.1021/acs.orglett.6b03407

Reference yield: 72.0%

2-mercaptoethylamine hydrochloride (156-57-0) + propiononitrile (107-12-0) → 2-ethyl-2-thiazoline (16982-46-0)

Guidance literature:

With ammonium acetate; sodium ethanolate; In ethanol; for 12h; Heating;

DOI:10.1016/j.tet.2007.03.089

Reference yield: 38.0%

Cysteamine (60-23-1) + propiononitrile (107-12-0) → 2-ethyl-2-thiazoline (16982-46-0)

Guidance literature:

In ethanol; for 5h; Heating;

upstream raw materials:

thiopropanamide

2-bromoethylamine hydrobromide

ethanolamine

propionic acid

Downstream raw materials:

2-n-Propylaminoethanthiol

1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone

2-phenyl-3-methyl-Δ²-thiazolidinium iodide

8-methyl-5-phenyl-2,3-dihydro-thiazolo[3,2-c]pyrimidin-7-one

Refernces

• 1、 Martin,Parcell. "-". . p. 4835. Retrieved 1961.
• 2、 Fuganti, Claudio,Gatti, Francesco G.,Serra, Stefano. "A general method for the synthesis of the most powerful naturally?occurring Maillard flavors". . p. 4762 - 4767. Retrieved 2007/10/03.