459817-82-4

Basic information

• Product Name: tert-Butyl 1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide
• Synonyms: tert-Butyl 1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide;2,2-Dioxo-[1,2,3]oxathiazolidine-3-carboxylic acid tert-butyl ester;3-Boc-1,2,3-oxathiazolidine 2,2-dioxide;1,2,3-oxathiazolidine-3-carboxylic acid, 1,1-dimethylethyl ester, 2,2-dioxide;3-Boc-1,2,3-oxathiazolidine 2,2-dioxide 95%;2,2-Dioxido-1,2,3-oxathiazolidine,N-BOCprotected
• CAS NO: 459817-82-4
• Molecular Formula: C₇H₁₃NO₅S
• Molecular Weight: 223.24682
• Mol File: 459817-82-4.mol
• Article Data: 21

Chemical Properties

• Melting Point: 123-128°C
• Boiling Point: 285.3±23.0 °C(Predicted)
• Appearance: /
• Density: 1.356±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: -13.59±0.20(Predicted)
• CAS DataBase Reference: tert-Butyl 1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide(CAS DataBase Reference)
• NIST Chemistry Reference: tert-Butyl 1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide(459817-82-4)
• EPA Substance Registry System: tert-Butyl 1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide(459817-82-4)

Safety Data

• Hazard Codes: Xn,N
• Statements: 22-50/53
• Safety Statements: 60-61
• RIDADR: UN 3077 9 / PGIII
• WGK Germany: 3
• Hazardous Substances Data: 459817-82-4(Hazardous Substances Data)

Usage

General Description

Tert-Butyl 1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide is a chemical compound with the molecular formula C8H13NO5S. It often appears as a light yellow powder or crystalline substance. Largely used in scientific research, this chemical is particularly known for its use in organic synthesis, where it acts as a protective group for carbonyl compounds with high selectivity. The chemical functions by forming a reversible complex with the carbonyl group, protecting it from various reactions. Nevertheless, given its industrial and scientific applications, understanding its properties and appropriate handling measures are crucial to ensure safety. However, the toxicity, environmental impact and potential health effects of this compound are not very well-documented, and these should be researched thoroughly before wider usage.

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 26690-80-2 2-(N-tert-butoxycarbonylamino)ethanol 

Downstream Products

• 923296-74-6 [1-(2-Amino-ethyl)-6-chloro-1H-indol-3-yl]-[4-(2-fluoro-phenyl)-piperazin-1-yl]-methanone 
• 1613623-72-5 {2-[5-(3-chlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrrolo[3,4-d]pyrimidin-6-yl]ethyl}carbamic acid tert-butyl ester 
• 178181-52-7 tert-butyl (2-fluoroethyl)carbamate 
• 1056015-76-9 tert-butyl [2-(2-iodophenoxy)ethyl]carbamate 
• 887590-25-2 3,4-dihydro-2H-quinoxaline-1-carboxylic acid tert-butyl ester 
• 1441005-75-9 C₁₃H₁₉BrN₂O₂ 
• 1204333-53-8 C₁₃H₁₈BrNO₃ 
• 1453206-80-8 (3R,4S)-tert-butyl 3-(2-((tert-butoxycarbonyl)amino)ethyl)-2,5-dioxo-1,4-diphenylpyrrolidine-3-carboxylate 

Relevant articles and documents

Pyrizolo[1,5-a]pyrimidine derivatives of the second-generation TRK inhibitor: Design, synthesis and biological evaluation

As a receptor tyrosine kinase (RTK), tropomyosin receptor kinase (Trk) is a key drug target in solid tumors. However, the use of the First-generation Trk inhibitors was greatly restricted due to mutant drug resistance. Fortunately, the emergence of the Second-generation of Trk inhibitors has brought an effective solution to this mutant resistance, such as TPX-0005 (Repotrectinib). Here, we reported a series of pyrizolo[1,5-a]pyrimidine derivatives as the second-generation Trk inhibitors, and carried out the subsequent biological activity evaluation. Among them, the best compound 14h (IC50 = 1.40, 1.80 nM, against TrkA, TrkAG595R, respectively) and 14j (IC50 = 0.86, 6.92 nM, against TrkA, TrkAG595R, respectively) has a kinase activity comparable to TPX-0005, and 14j (IC50 = 350 nM against ALK) has a higher selectivity of Trk inhibition than TPX-0005, which may be of great significance for reducing toxicity.

Substituted chiral diaryl macrocyclic compound as TRK inhibitors

The invention relates to a substituted chiral diaryl macrocyclic compound as a TRK inhibitor, and belongs to the technical field. The structure of the chiral diaryl macrocyclic compound is shown as a general formula (I), and the chiral diaryl macrocyclic

Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase

Historically, chemists have explored chemical space in a highly uneven and unsystematic manner. As an example, the shape diversity of existing fragment sets does not generally reflect that of all theoretically possible fragments. To assess experimentally the added value of increased three dimensionality, a shape-diverse fragment set was designed and collated. The set was assembled by both using commercially available fragments and harnessing unified synthetic approaches to sp3-rich molecular scaffolds. The resulting set of 80 fragments was highly three-dimensional, and its shape diversity was significantly enriched by twenty synthesised fragments. The fragment set was screened by high-throughput protein crystallography against Aurora-A kinase, revealing four hits that targeted the binding site of allosteric regulators. In the longer term, it is envisaged that the fragment set could be screened against a range of functionally diverse proteins, allowing the added value of more shape-diverse screening collections to be more fully assessed.