4-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)butanoic acid

Base Information

• Chemical Name: 4-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)butanoic acid
• CAS No.: 10312-42-2
• Molecular Formula: C₁₁H₁₁NO₅S
• Molecular Weight: 269.278
• Mol file: 10312-42-2.mol

Synonyms:4-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)butanoic acid

Chemical Property of 4-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)butanoic acid

Chemical Property:

Purity/Quality:

98%min ^*data from raw suppliers

4-(1,1,3-Trioxo-1,3-dihydro-1lambda*6*-benzo[d]-isothiazol-2-yl)-butyric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)butanoic acid

There total 4 articles about 4-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)butanoic acid 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 4-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)butanoate (83747-31-3) → 4-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)butanoic acid (10312-42-2)

Guidance literature:

With hydrogenchloride; at 100 ℃; for 2h;

DOI:10.1021/jm00356a023

Reference yield:

saccharin sodium salt (128-44-9) → 4-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)butanoic acid (10312-42-2)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylformamide

2: 90 percent / 0.5percent HCl / 2 h / 100 °C

With hydrogenchloride; In N,N-dimethyl-formamide;

DOI:10.1021/jm00356a023

Reference yield:

saccharin (81-07-2) → 4-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)butanoic acid (10312-42-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydrogencarbonate / N,N-dimethyl-formamide / 4 h / 60 - 80 °C

2: hydrogenchloride / water / 100 °C

With hydrogenchloride; sodium hydrogencarbonate; In water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2014.01.045

upstream raw materials:

ethyl 4-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)butanoate

saccharin sodium salt

saccharin

Downstream raw materials:

dibenzyl (2R)-2-[((2S)-2-{[4-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)butanoyl]amino}propanoyl)amino]pentanedioate

benzyl (4R)-5-amino-5-oxo-4-[((2S)-2-{[4-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)butanoyl]amino}propanoyl)amino]pentanoate