Ethyl 2-(4-Thiazolyl)acetate

Base Information

• Chemical Name: Ethyl 2-(4-Thiazolyl)acetate
• CAS No.: 120155-43-3
• Molecular Formula: C7H9NO2S
• Molecular Weight: 171.22
• Hs Code.: 2934100090
• European Community (EC) Number: 822-480-8
• Mol file: 120155-43-3.mol

Synonyms:120155-43-3;Ethyl 2-(4-Thiazolyl)acetate;4-Thiazoleacetic acid, ethyl ester;Ethyl 2-(1,3-thiazol-4-yl)acetate;4-Thiazoleacetic acid ethyl ester;ethyl 1,3-thiazol-4-ylacetate;MFCD03011394;Ethyl2-(4-Thiazolyl)acetate;SCHEMBL216664;UMCBKPOYFXBWBZ-UHFFFAOYSA-N;thiazol-4-ylacetic acid ethyl ester;AKOS002662835;AC-37183;AS-32017;SY023096;1,3-thiazol-4-yl-acetic acid ethyl ester;CS-0040855;EN300-257776;A892326

Chemical Property of Ethyl 2-(4-Thiazolyl)acetate

Chemical Property:

• Boiling Point: 160 °C(Press: 71 Torr)
• PKA: 1.38±0.10(Predicted)
• PSA: 67.43000
• Density: 1.210±0.06 g/cm3(Predicted)
• LogP: 1.24870
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 171.03539970
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl2-(4-Thiazolyl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=CSC=N1

Technology Process of Ethyl 2-(4-Thiazolyl)acetate

There total 8 articles about Ethyl 2-(4-Thiazolyl)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: 40.0%

thiocarboxamide (115-08-2) + ethyl (2-chloroaceto)acetate (638-07-3) → thiazol-4-yl acetic acid ethyl ester (120155-43-3)

Guidance literature:

In ethanol; for 0.333333h; Heating;

DOI:10.1248/cpb.36.2346

Reference yield:

ethyl 2-amino-1,3-thiazol-4-acetate (53266-94-7) → thiazol-4-yl acetic acid ethyl ester (120155-43-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NaNO₂; aqueous HNO₃; H₃PO₄ / Behandeln der Reaktionsloesung mit Kupfer und wss. HBr

2: Raney nickel; ethanol; diethylamine / Hydrogenation

With ethanol; phosphoric acid; nitric acid; nickel; diethylamine; sodium nitrite;

DOI:10.1002/hlca.660280147

Reference yield:

toluene of thioformamide + 4-bromoethyl acetoacetate (13176-46-0) → thiazol-4-yl acetic acid ethyl ester (120155-43-3)

Guidance literature:

In 1,4-dioxane; ethanol;

upstream raw materials:

ethyl 2-(2-bromo-1,3-thiazol-4-yl)acetate

thiocarboxamide

4-bromoethyl acetoacetate

formamide

Downstream raw materials:

thiazol-4-yl acetic acid

-acetamid

2-(thiazol-4-yl)ethanol

2-(thiazol-4-yl)acetonitrile

Refernces

• 1、 -. "Inhibitors of protein isoprenyl transferases". . . Retrieved 2008/06/13.
• 2、 -. "2-Alkoxy(and 2-alkoxyalkyl)-2-heterocyclic-thioacetamides for inhibiting gastric acid secretion". . . Retrieved 2008/06/13.