Ethyl 2-(1,3-benzothiazol-2-yl)-2-oxoacetate

Base Information

• Chemical Name: Ethyl 2-(1,3-benzothiazol-2-yl)-2-oxoacetate
• CAS No.: 20474-55-9
• Molecular Formula: C11H9NO3S
• Molecular Weight: 235.25900
• Hs Code.: 2934200090
• Mol file: 20474-55-9.mol

Synonyms:Y8176;benzothiazol-2-yl-oxo-acetic acid ethyl ester;ethyl 2-(benzo[d]thiazol-2-yl)-2-oxoacetate;Benzothiazol-2-yl-glyoxylsaeure-aethylester;

Chemical Property of Ethyl 2-(1,3-benzothiazol-2-yl)-2-oxoacetate

Chemical Property:

• Boiling Point: 359.5±25.0 °C(Predicted)
• PKA: -2.11±0.10(Predicted)
• PSA: 84.50000
• Density: 1.349±0.06 g/cm3(Predicted)
• LogP: 2.04210

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 2-(1,3-benzothiazol-2-yl)-2-oxoacetate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethyl 2-(1,3-benzothiazol-2-yl)-2-oxoacetate

There total 2 articles about Ethyl 2-(1,3-benzothiazol-2-yl)-2-oxoacetate 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: 51.0%

1,3-Benzothiazole (95-16-9) + Ethyl oxalyl chloride (4755-77-5) → Benzothiazol-2-yl-glyoxylsaeure-aethylester (20474-55-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at -20 - 20 ℃;

DOI:10.1055/s-0030-1260003

Reference yield: 10.0%

2-(trimethylsilyl)benzothiazole (32137-73-8) + Ethyl oxalyl chloride (4755-77-5) → Benzothiazol-2-yl-glyoxylsaeure-aethylester (20474-55-9)

Guidance literature:

In dichloromethane;

Reference yield:

Benzothiazol-2-yl-glyoxylsaeure-aethylester (20474-55-9) → 2-carboxybenzothiazole (3622-04-6) + 1,2-bis-benzothiazol-2-yl-2-hydroxy-ethanone; (E)-enediol tautomer (29198-40-1)

Guidance literature:

With hydrogenchloride; for 24h; Ambient temperature;

DOI:10.1002/hlca.19700530715

upstream raw materials:

1,3-Benzothiazole

Ethyl oxalyl chloride

2-(trimethylsilyl)benzothiazole

Downstream raw materials:

2-carboxybenzothiazole

1,2-bis-benzothiazol-2-yl-2-hydroxy-ethanone; (E)-enediol tautomer

Refernces

• 1、 Geraschenko, Oleksandr V.,Khodakovskiy, Pavel V.,Shishkin, Oleg V.,Mykhailiuk, Pavel K.,Zaporozhets, Olga A.,Tolmachev, Andrey A.. "Facile synthesis of 2-(2-ethoxy-1,2-dioxoethyl)azoles". experimental part. p. 1633 - 1637. Retrieved 2011/06/25.