2(3H)-Benzothiazolone,5-nitro-(9CI)

Base Information

• Chemical Name: 2(3H)-Benzothiazolone,5-nitro-(9CI)
• CAS No.: 62386-22-5
• Molecular Formula: C7H4N2O3S
• Molecular Weight: 196.18300
• Hs Code.: 2934200090
• Mol file: 62386-22-5.mol

Synonyms:5-nitro-3H-1,3-benzothiazol-2-one;

Chemical Property of 2(3H)-Benzothiazolone,5-nitro-(9CI)

Chemical Property:

• PKA: 8.99±0.20(Predicted)
• PSA: 106.92000
• Density: 1.603±0.06 g/cm3(Predicted)
• LogP: 2.02100
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

5-Nitrobenzo[d]thiazol-2(3H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2(3H)-Benzothiazolone,5-nitro-(9CI)

There total 2 articles about 2(3H)-Benzothiazolone,5-nitro-(9CI) 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:

5-nitro-2-mercaptobenzothiazole (58759-63-0) → 5-nitro-3H-benzothiazol-2-one (62386-22-5)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In ethanol; at 20 ℃; for 48h;

Reference yield:

5-nitrobenzo[d]thiazole-2(3H)-thione (58759-63-0) → 5-nitro-3H-benzothiazol-2-one (62386-22-5)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide;

Reference yield: 63.0%

5-nitro-3H-benzothiazol-2-one (62386-22-5) + phenylacetylene (536-74-3) → 4-nitro-2-(phenylethynyl)benzo[d]thiazole

Guidance literature:

5-nitro-3H-benzothiazol-2-one; With triethylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In 1,4-dioxane; at 25 ℃; for 2h; Inert atmosphere;

phenylacetylene; With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In 1,4-dioxane; at 25 ℃; for 6h; Inert atmosphere;

DOI:10.1021/ol100657n

upstream raw materials:

5-nitrobenzo[d]thiazole-2(3H)-thione

5-nitro-2-mercaptobenzothiazole

Downstream raw materials:

C₈H₆N₂O₃S

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