2-(2-BENZOTHIAZOLYL)ACETIC ACID ETHYL ESTER

Base Information

• Chemical Name: 2-(2-BENZOTHIAZOLYL)ACETIC ACID ETHYL ESTER
• CAS No.: 29182-42-1
• Molecular Formula: C11H11NO2S
• Molecular Weight: 221.28
• Hs Code.: 2934999090
• Mol file: 29182-42-1.mol

Synonyms:Ethyl(benzothiazol-2-yl)acetate;Ethyl 2-(2-benzothiazolyl)acetate;Ethyl2-(benzothiazol-2-yl)acetate;Ethyl 2-benzothiazoleacetate;NSC 621357;2-Benzothiazoleacetic acid, ethyl ester;Ethyl 1,3-benzothiazol-2-ylacetate;

Chemical Property of 2-(2-BENZOTHIAZOLYL)ACETIC ACID ETHYL ESTER

Chemical Property:

• Vapor Pressure: 0.00016mmHg at 25°C
• Refractive Index: 1.613
• Boiling Point: 331 °C at 760 mmHg
• PKA: 0.72±0.10(Predicted)
• Flash Point: 154 °C
• PSA: 67.43000
• Density: 1.26 g/cm³
• LogP: 2.40190
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

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

Ethyl2-(Benzo[d]thiazol-2-yl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ethyl 2-(benzo[d]thiazol-2-yl)acetate is a useful research chemical.

Technology Process of 2-(2-BENZOTHIAZOLYL)ACETIC ACID ETHYL ESTER

There total 11 articles about 2-(2-BENZOTHIAZOLYL)ACETIC ACID ETHYL ESTER 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: 90.0%

ethyl 2-cyanoacetate (105-56-6) + 2-amino-benzenethiol (137-07-5) → ethyl 2-(2-benzothiazolyl)acetate (29182-42-1)

Guidance literature:

at 120 ℃; for 3h;

Reference yield: 75.0%

2-amino-benzenethiol (137-07-5) + diethyl malonate (105-53-3) → ethyl 2-(2-benzothiazolyl)acetate (29182-42-1)

Guidance literature:

2-amino-benzenethiol; diethyl malonate; at 160 ℃; for 4h; Inert atmosphere;

With toluene-4-sulfonic acid; at 160 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c6cc06864b

Reference yield: 60.0%

ethyl 3-ethoxy-3-iminopropanoate hydrochloride (2318-25-4,165895-16-9) + 2-amino-benzenethiol (137-07-5) → ethyl 2-(2-benzothiazolyl)acetate (29182-42-1)

Guidance literature:

In methanol; Heating;

DOI:10.1023/A:1013237222718

upstream raw materials:

2-amino-benzenethiol

ethyl chlorocarbonylacetate

diethyl malonate

ethyl 3-ethoxy-3-iminopropanoate hydrochloride

Downstream raw materials:

2-(benzo[d]thiazol-2-yl)acetic acid

coumarin 545

ethyl 3-(benzothiazol-2-yl)-4-(2,4-dichloro-5-nitrophenyl)-2,4-dioxobutanoate

ethyl 3-(benzothiazol-2-yl)-4-(2,4-dichloro-5-fluorophenyl)-2,4-dioxobutanoate

Refernces

• 1、 Ni, Qijian,Song, Xiaoxiao,Xu, Lei. "Highly diastereoselective synthesis of 3-methylenetetrahydropyrans by palladium-catalyzed oxa-[4 + 2] cycloaddition of 2-alkenylbenzothiazoles". supporting information. p. 6617 - 6621. Retrieved 2020/09/21.
• 2、 -. "Fast-response formaldehyde fluorescent probe as well as preparation method and application thereof". Paragraph 0041. . Retrieved 2019/04/11.