2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide

Base Information

• Chemical Name: 2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide
• CAS No.: 119639-24-6
• Molecular Formula: C7H11NO3S
• Molecular Weight: 189.235
• European Community (EC) Number: 855-511-9
• Nikkaji Number: J938.024H
• Mol file: 119639-24-6.mol

Synonyms:119639-24-6;2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide;3(2H)-Isothiazolone, 2-(1,1-dimethylethyl)-, 1,1-dioxide;2-tert-Butyl-2,3-dihydro-1lambda6,2-thiazole-1,1,3-trione;2-tert-butyl-1,1-dioxo-1,2-thiazol-3-one;SCHEMBL5892925;ACMFJQJWCFZWEU-UHFFFAOYSA-N;BS-50702;2-tert-butylisothiazol-3(2H)-one 1,1-dioxide;F76270;EN300-6482013;2-tert-Butyl-3-oxo-4-isothiazoline 1,1-dioxide

Chemical Property of 2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 189.04596439
• Heavy Atom Count: 12
• Complexity: 329

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)N1C(=O)C=CS1(=O)=O

Technology Process of 2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide

There total 1 articles about 2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide 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: 74.0%

2-(tert-butyl)-isothiazol-3(2H)-on (26542-16-5) → 2-tert-butylisothiazol-3(2H)-one 1,1-dioxide (119639-24-6)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 40 ℃; for 20h;

DOI:10.1002/hlca.19890720702

Reference yield: 64.0%

methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-(3-chloro-4-iodophenyl)propanoate (850317-91-8) + 2-tert-butylisothiazol-3(2H)-one 1,1-dioxide (119639-24-6) → methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-[4-(2-tert-butyl-1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)-3-chlorophenyl]propanoate (850317-92-9)

Guidance literature:

With tetrabutyl-ammonium chloride; palladium diacetate; triethylamine; In N,N-dimethyl-formamide; at 65 ℃; for 2h;

DOI:10.1021/jm0600904

Reference yield: 63.0%

2-tert-butylisothiazol-3(2H)-one 1,1-dioxide (119639-24-6) + ethyl 3-[1-[(1-methylethyl)amino]-1-phenylmethyl]-1H-indole-2-acetate → 3-{[(1,1-dimethylethyl)amino]carbonyl}-4-phenyl-9H-carbazole-1-carboxylic acid ethyl ester

Guidance literature:

In toluene; at 90 ℃; for 2.5h; regioselective reaction;

DOI:10.1016/j.tet.2014.09.015

upstream raw materials:

2-(tert-butyl)-isothiazol-3(2H)-on

Downstream raw materials:

methyl (2S)-3-[3-bromo-(2-tert-butyl-1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)phenyl]-2-[(tert-butoxycarbonyl)amino]propanoate

methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-[4-(2-tert-butyl-1,1-dioxido-3-oxo-2,3-dihydroisothiazol-5-yl)-3-chlorophenyl]propanoate

2-{2-[3-bromo-4-(2-tert-butyl-1,1,3-trioxo-2,3-dihydro-1H-1λ⁶-isothiazol-5-yl)-phenyl]-1-tert-butoxycarbonylamino-ethyl}-benzoimidazole-1-carboxylic acid tert-butyl ester

Benzoic acid 2-tert-butyl-1,1,3-trioxo-2,3-dihydro-1H-1λ⁶-benzo[d]isothiazol-4-ylmethyl ester

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