3-{4-[4-(Chlorosulfonyl)phenyl]-5-methyl-1,2-oxazol-3-yl}benzenesulfonyl chloride | CAS No. 1373038-63-1
3-{4-[4-(Chlorosulfonyl)phenyl]-5-methyl-1,2-oxazol-3-yl}benzenesulfonyl chloride
Basic Information
CAS Number
1373038-63-1
Molecular Formula
C16H11Cl2NO5S2
Molecular Weight
432.31 g/mol
AD
Chemical Classification
Basic Physical Properties
Solubility
Insuluble (3.1E-3 g/L) (25 ºC),
Synonyms & References
English
- Valdecoxib Impurity E
- Parecoxib Impurity 27
- 3-(4-(4-(Chlorosulfonyl)phenyl)-5-methylisoxazol-3-yl)benzene-1-sulfonyl chloride
- 3-(4-(4-(Chlorosulfonyl)phenyl)-5-methylisoxazol-3-yl)benzenesulfonyl chloride
- 3-[4-(4-Chlorosulfonylphenyl)-5-methyl-1,2-oxazol-3-yl]benzenesulfonyl chloride
- 3-(4-(4-(chlorosulfonyl)phenyl)-5-methylisoxazol-3-yl)benzenesulfonyl chloride
FAQ
What are the physical and chemical properties of 3-{4-[4-(Chlorosulfonyl)phenyl]-5-methyl-1,2-oxazol-3-yl}benzenesulfonyl chloride (CAS: 1373038-63-1)?
3-{4-[4-(Chlorosulfonyl)phenyl]-5-methyl-1,2-oxazol-3-yl}benzenesulfonyl chloride is a crystalline solid with a molecular weight of approximately 522.04 g/mol. Its solubility in water is very low, making it suitable for applications requiring high purity. Chemically, it is highly reactive, particularly towards nucleophiles and bases, which can lead to coupling reactions and other transformations in synthetic chemistry.
How is 3-{4-[4-(Chlorosulfonyl)phenyl]-5-methyl-1,2-oxazol-3-yl}benzenesulfonyl chloride (CAS: 1373038-63-1) typically synthesized?
3-{4-[4-(Chlorosulfonyl)phenyl]-5-methyl-1,2-oxazol-3-yl}benzenesulfonyl chloride is synthesized through a multi-step process, often involving the condensation of a 4-chlorosulfonylphenyl derivative with a 5-methyl-1,2-oxazol-3-carboxylic acid compound. The reaction typically requires mild to moderate temperatures and is catalyzed by common reagents like sulfuric acid. The overall yield is generally between 60-80%, depending on the purity of the starting materials and the optimization of reaction conditions.
What industries use 3-{4-[4-(Chlorosulfonyl)phenyl]-5-methyl-1,2-oxazol-3-yl}benzenesulfonyl chloride (CAS: 1373038-63-1)?
3-{4-[4-(Chlorosulfonyl)phenyl]-5-methyl-1,2-oxazol-3-yl}benzenesulfonyl chloride finds applications in the pharmaceutical industry for the synthesis of complex molecules and intermediates. It is also used in polymer chemistry, where its reactive properties can be harnessed for functionalization and cross-linking. Additionally, this compound is employed in the development of sensors and semiconductors due to its unique chemical reactivity and stability.
What precautions should be taken when handling 3-{4-[4-(Chlorosulfonyl)phenyl]-5-methyl-1,2-oxazol-3-yl}benzenesulfonyl chloride (CAS: 1373038-63-1)?
When handling 3-{4-[4-(Chlorosulfonyl)phenyl]-5-methyl-1,2-oxazol-3-yl}benzenesulfonyl chloride, it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work must be conducted in a well-ventilated area or a fume hood to minimize exposure to chlorosulfonyl groups. Spills should be cleaned up using appropriate absorbent materials and disposed of in accordance with local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.
Related Compounds
![N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure](https://static.chemtradehub.com/structs/103/103687-96-3-8086.webp "N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure")
N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine
CAS Number:
103687-96-3
Molecular Formula:
C17H19NO5S
![5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure](https://static.chemtradehub.com/structs/112/112897-99-1-d1f4.webp "5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure")
5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine
CAS Number:
112897-99-1
Molecular Formula:
C30H31N3O7
![(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure](https://static.chemtradehub.com/structs/121/121055-10-5-583d.webp "(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure")
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile
CAS Number:
121055-10-5
Molecular Formula:
C17H17NO4
![Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure](https://static.chemtradehub.com/structs/126/1263059-26-2-d6da.webp "Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure")
Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CAS Number:
1263059-26-2
Molecular Formula:
C8H6ClN3O2
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Supplier Information
![3-{4-[4-(Chlorosulfonyl)phenyl]-5-methyl-1,2-oxazol-3-yl}benzenesulfonyl chloride — Shandong Chengchuang Blue Ocean Pharmaceutical Technology Co., Ltd.](https://static.chemtradehub.com/suppliers/67ce78212b2de6e8e95a467d/67ce78212b2de6e8e95a467d-logo.webp){kind=logo}
![3-{4-[4-(Chlorosulfonyl)phenyl]-5-methyl-1,2-oxazol-3-yl}benzenesulfonyl chloride — Jin Jinle (Hunan) Chemical Co., Ltd.](https://static.chemtradehub.com/suppliers/67ce76192b2de6e8e95a464e/67ce76192b2de6e8e95a464e-logo.webp){kind=logo}
![3-{4-[4-(Chlorosulfonyl)phenyl]-5-methyl-1,2-oxazol-3-yl}benzenesulfonyl chloride — Hubei Hongxin Chemical Reagents Co., Ltd.](https://static.chemtradehub.com/suppliers/67cde4c357537e5c8069aee2/67cde4c357537e5c8069aee2-logo.webp){kind=logo}
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