Ethyl 2-(2,4-dimethylthiazol-5-yl)acetate

Base Information

• Chemical Name: Ethyl 2-(2,4-dimethylthiazol-5-yl)acetate
• CAS No.: 405921-41-7
• Molecular Formula: C₉H₁₃NO₂S
• Molecular Weight: 199.274
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID90355915
• Wikidata: Q82135012
• Mol file: 405921-41-7.mol

Synonyms:ethyl 2-(2,4-dimethylthiazol-5-yl)acetate;405921-41-7;ethyl 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetate;Ethyl2-(2,4-dimethylthiazol-5-yl)acetate;ethyl 2-(dimethyl-1,3-thiazol-5-yl)acetate;ethyl (2,4-dimethyl-1,3-thiazol-5-yl)acetate;SCHEMBL1267026;DTXSID90355915;AKOS002663118;CS-0216274;FT-0769458;EN300-378500;A873285;AF-399/25053007

Chemical Property of Ethyl 2-(2,4-dimethylthiazol-5-yl)acetate

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Boiling Point: 280.501°C at 760 mmHg
• PKA: 3.65±0.10(Predicted)
• Flash Point: 123.443°C
• PSA: 67.43000
• Density: 1.145g/cm³
• LogP: 1.86550
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 199.06669983
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(2,4-dimethylthiazol-5-yl)acetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=C(N=C(S1)C)C

Technology Process of Ethyl 2-(2,4-dimethylthiazol-5-yl)acetate

There total 6 articles about Ethyl 2-(2,4-dimethylthiazol-5-yl)acetate 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:

thioacetamide (62-55-5) → ethyl 2-(2,4-dimethylthiazol-5-yl)acetate (405921-41-7)

Guidance literature:

With ethanol;

DOI:10.1039/jr9470001400 DOI:10.1021/jo01166a021

Reference yield:

levulinic acid (123-76-2) → ethyl 2-(2,4-dimethylthiazol-5-yl)acetate (405921-41-7)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride; bromine / water / -5 - 20 °C / Large scale reaction

2: 2 h / Reflux; Large scale reaction

With hydrogenchloride; bromine; In water;

DOI:10.1021/op1001148

Reference yield:

ethanol (64-17-5) + thioacetamide (62-55-5) + levulinic acid (123-76-2) → ethyl 2-(2,4-dimethylthiazol-5-yl)acetate (405921-41-7) + C9H13NO2S (1236398-84-7)

Guidance literature:

levulinic acid; With hydrogenchloride; bromine; In water;

ethanol; thioacetamide;

DOI:10.1021/op1001148

upstream raw materials:

hydrogenchloride

(2,4-dimethyl-1,3-thiazole-5-yl)acetic acid

thioacetamide

3-bromolevulinic acid

Downstream raw materials:

(2,4-dimethyl-1,3-thiazole-5-yl)acetic acid

2-(2,4-dimethyl-thiazol-5-yl)-acetamide

2-(2,4-dimethyl-thiazol-5-yl)-ethylamine

(2,4-dimethyl-thiazol-5-yl)-acetonitrile

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