Ethyl 2-bromo-6-benzothiazolecarboxylate

Base Information

• Chemical Name: Ethyl 2-bromo-6-benzothiazolecarboxylate
• CAS No.: 99073-88-8
• Molecular Formula: C10H8BrNO2S
• Molecular Weight: 286.149
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20476869
• Nikkaji Number: J1.899.417H
• Wikidata: Q72473124
• Mol file: 99073-88-8.mol

Synonyms:Ethyl 2-bromo-6-benzothiazolecarboxylate;99073-88-8;ethyl 2-bromobenzo[d]thiazole-6-carboxylate;ethyl 2-bromo-1,3-benzothiazole-6-carboxylate;2-bromo-6-ethoxycarbonylbenzothiazole;2-Bromo-benzothiazole-6-carboxylic acid ethyl ester;MFCD08669850;Ethyl2-Bromo-6-Benzothiazolecarboxylate;ETHYL 2-BROMOBENZOTHIAZOLE-6-CARBOXYLATE;SCHEMBL145671;2-bromo-1,3-benzothiazole-6-carboxylic acid ethyl ester;DTXSID20476869;JQZQKEZCRZNJPC-UHFFFAOYSA-N;AKOS002666390;CS-W003539;AM807839;DS-10619;ethyl 2-bromo-benzothiazole-6-carboxylate;SY014345;FT-0647907;ethyl 2-bromo-benzo[d]thiazole-6-carboxylate;EN300-7357050;A845957;ethyl 2-bromanyl-1,3-benzothiazole-6-carboxylate;J-520721

Chemical Property of Ethyl 2-bromo-6-benzothiazolecarboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.652
• Boiling Point: 377.583 °C at 760 mmHg
• PKA: -1.37±0.10(Predicted)
• Flash Point: 182.156 °C
• PSA: 67.43000
• Density: 1.618 g/cm³
• LogP: 3.23550
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 284.94591
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl2-Bromo-6-benzothiazolecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(C=C1)N=C(S2)Br

Technology Process of Ethyl 2-bromo-6-benzothiazolecarboxylate

There total 3 articles about Ethyl 2-bromo-6-benzothiazolecarboxylate 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: 96.0%

ethyl 2-aminobenzothiazole-6-carboxylate (50850-93-6) → ethyl 2-bromo-1,3-benzothiazole-6-carboxylate (99073-88-8)

Guidance literature:

With tert.-butylnitrite; copper(ll) bromide; In acetonitrile; at 20 ℃; for 1h; Temperature;

Reference yield:

ethyl 2-aminobenzothiazole-6-carboxylate (50850-93-6) + copper(II)bromide (7789-45-9) → ethyl 2-bromo-1,3-benzothiazole-6-carboxylate (99073-88-8)

Guidance literature:

With tert.-butylnitrite; In acetonitrile;

Reference yield:

→ ethyl 2-bromo-1,3-benzothiazole-6-carboxylate (99073-88-8)

Guidance literature:

upstream raw materials:

ethyl 2-aminobenzothiazole-6-carboxylate

copper(II)bromide

Downstream raw materials:

ethyl 2-phenylbenzo[d]thiazole-6-carboxylate

Refernces

• 1、 Rajesh, R.,Senthilkumar, S.,Shafi, S. Syed,Subaash, R.. "Analysis of new Piperidine substituted Benzothiazole crystalline Derivatives". . p. 1158 - 1166. Retrieved 2021/11/17.
• 2、 -. "HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES". Paragraph 0319. . Retrieved 2016/08/03.