6-Ethoxy-2(3H)-benzothiazolone

Base Information

• Chemical Name: 6-Ethoxy-2(3H)-benzothiazolone
• CAS No.: 72680-01-4
• Molecular Formula: C₉H₉NO₂S
• Molecular Weight: 195.242
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90428815
• Wikidata: Q72471315
• Mol file: 72680-01-4.mol

Synonyms:72680-01-4;6-ETHOXY-2(3H)-BENZOTHIAZOLONE;6-Ethoxybenzo[d]thiazol-2(3H)-one;6-ethoxy-3H-1,3-benzothiazol-2-one;6-ethoxy-2,3-dihydro-1,3-benzothiazol-2-one;SCHEMBL11213147;DTXSID90428815;6-ETHOXYBENZO[D]THIAZOL-2-OL;AKOS006243259;6-ETHOXY-1,3-BENZOTHIAZOL-2-OL;AS-61442;Methyl 3-formyl-4-hydroxy phenyl acetate;6-ethoxy-2-hydroxybenzothiazole, AldrichCPR;CS-0061658;FT-0732188;W17335;A837597

Chemical Property of 6-Ethoxy-2(3H)-benzothiazolone

Chemical Property:

• PSA: 70.33000
• Density: 1.292g/cm³
• LogP: 1.98830
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 195.03539970
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

98%min ^*data from raw suppliers

6-Ethoxybenzo[d]thiazol-2(3H)-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC2=C(C=C1)NC(=O)S2

Technology Process of 6-Ethoxy-2(3H)-benzothiazolone

There total 4 articles about 6-Ethoxy-2(3H)-benzothiazolone 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: 76.0%

6-ethoxybenzo-1,3-thiazoline-2-thione (120-53-6) → 6-ethoxy-2-benzothiazolinone (72680-01-4)

Guidance literature:

With hydrogenchloride; sodium hydroxide; dihydrogen peroxide; 1) 85 deg C, 3 h 2) 85 deg C, 1.5 h;

Reference yield:

2-amino-5-ethoxybenzenethiol (34250-61-8) + 1,1'-carbonyldiimidazole (530-62-1) → 6-ethoxy-2-benzothiazolinone (72680-01-4)

Guidance literature:

In benzene;

Reference yield:

6-ethoxybenzothiazole-2-sulfonamide (452-35-7) → C9H9NO2S (72680-01-4)

Guidance literature:

With hydroxylamine; sodium hydroxide; In water; at 20 ℃; for 48h; pH=9 - 10;

DOI:10.1039/c2ob26929e

upstream raw materials:

6-ethoxybenzo-1,3-thiazoline-2-thione

2-amino-5-ethoxybenzenethiol

1,1'-carbonyldiimidazole

6-ethoxybenzothiazole-2-sulfonamide

Refernces

• 1、 D'Amico, John J.,Bollinger, Frederic G.,Freeman, John J.. "Synthesis of 2-Oxo and 2-Thioxo-3(2H)-benzothiazoleethanimic Acid Anhydride with Acetic Acid and Related Products". . p. 1503 - 1509. Retrieved 2007/10/02.