4-Ethyl-2-methyl-4,5-dihydrothiazole

Base Information

• Chemical Name: 4-Ethyl-2-methyl-4,5-dihydrothiazole
• CAS No.: 4293-61-2
• Deprecated CAS: 114080-87-4
• Molecular Formula: C6H11 N S
• Molecular Weight: 129.226
• Hs Code.: 2934100090
• European Community (EC) Number: 224-297-3
• DSSTox Substance ID: DTXSID10884055
• Nikkaji Number: J150.834B
• Mol file: 4293-61-2.mol

Synonyms:4-Ethyl-2-methyl-4,5-dihydrothiazole;4293-61-2;2-Methyl-4-ethylthiazoline;4-Ethyl-2-methylthiazoline;Thiazole, 4-ethyl-4,5-dihydro-2-methyl-;4-ethyl-2-methyl-4,5-dihydro-1,3-thiazole;2-Thiazoline, 4-ethyl-2-methyl-;EINECS 224-297-3;4-Ethyl-2-methyl-2-thiazoline;2-Methyl-4-ethyl-2-thiazoline;SCHEMBL14236769;LENVRVUQOXYSDH-UHFFFAOYSA-;DTXSID10884055;MFCD00015468;(4-METHYLBENZYL)PHOSPHONICACID;CS-0366810;FT-0709753;M0689;D91374

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

Chemical Property:

• Vapor Pressure: 1.98mmHg at 25°C
• Refractive Index: 1.4980-1.5010
• Boiling Point: 170.1°Cat760mmHg
• Flash Point: 56.7°C
• PSA: 37.66000
• Density: 1.09g/cm³
• LogP: 1.36580
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 129.06122053
• Heavy Atom Count: 8
• Complexity: 109

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methyl-4-ethylthiazoline >88.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CSC(=N1)C

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

There total 4 articles about 4-Ethyl-2-methyl-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: 50.0%

N-(1-hydroxybutan-2-yl)acetamide (71501-68-3,4293-52-1) → 4-ethyl-2-methylthiazoline (4293-61-2)

Guidance literature:

With sodium hydroxide; tetraphosphorus decasulfide;

DOI:10.1515/znb-1987-0317

Reference yield:

2-aminobutanol (96-20-8,13054-87-0) + acetyl chloride (75-36-5) → 4-ethyl-2-methylthiazoline (4293-61-2)

Guidance literature:

2-aminobutanol; acetyl chloride; With triethylamine; In dichloromethane; at 0 ℃; for 0.5h;

With Lawessons reagent; In toluene; for 0.25h; Further stages.; Heating;

DOI:10.1016/j.tetlet.2004.09.182

Reference yield:

1-butylene (106-98-9,9003-28-5) + acetonitrile (75-05-8,26809-02-9) → 4-ethyl-2-methylthiazoline (4293-61-2)

Guidance literature:

Multistep reaction; (i) Cl₂, (ii) H₂S, (iii) aq. NaOH;

upstream raw materials:

1-butylene

acetonitrile

N-(1-hydroxybutan-2-yl)acetamide

2-aminobutanol

Downstream raw materials:

2-Amino-1-mercapto-butan

Refernces

• 1、 Zhou, Aihua,Pittman, Charles U.. "Reactions of 2-methylthiazolines and N-methyl cyclic ketene-N,S-acetals with acid chlorides". . p. 8899 - 8903. Retrieved 2007/10/03.
• 2、 Handrick,Atkinson,Granchelli,Bruni. "Potential antiradiation drugs. II. 2-Amino-1-alkanethiols, 1-amino-2-alkanethiols, 2-thiazolines, and 2-thiazoline-2-thiols.". . p. 762 - 766. Retrieved 2007/10/04.