4-Nitrobenzyl (2S,4S)-4-(acetylsulfanyl)-2-{[{[(2-methyl-2-propanyl)oxy]carbonyl}(sulfamoyl)amino]methyl}-1-pyrrolidinecarboxylate | CAS No. 491878-06-9
4-Nitrobenzyl (2S,4S)-4-(acetylsulfanyl)-2-{[{[(2-methyl-2-propanyl)oxy]carbonyl}(sulfamoyl)amino]methyl}-1-pyrrolidinecarboxylate
Basic Information
CAS Number
491878-06-9
Molecular Formula
C20H28N4O9S2
Molecular Weight
532.6 g/mol
AD
Chemical Classification
Basic Physical Properties
Melting Point
124-132 ºC
Boiling Point
686.8°C at 760 mmHg
Safety Information
View Safety InformationHazard Statement
H302
Harmful if swallowed
Acute toxicity, oral
Acute toxicity, oral
H315
Causes skin irritation
Skin corrosion/irritation
Skin corrosion/irritation
H319
Causes serious eye irritation
Serious eye damage/eye irritation
Serious eye damage/eye irritation
H332
Harmful if inhaled
Acute toxicity, inhalation
Acute toxicity, inhalation
H335
May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation
Synonyms & References
English
- Doripenem side-chain
- Doripenem side chain
- KS-5275
- N-(tert-Butoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
- AC-22271
- (4-nitrophenyl)methyl (2S)-4-(acetylsulfanyl)-2-({[(tert-butoxy)carbonyl](sulfamoyl)amino}methyl)pyrrolidine-1-carboxylate
- Acs-pnz-pyrrolidyl-(boc)-NSO2NH2
- (2S,4S)-4-Nitrobenzyl 4-(acetylthio)-2-(((tert-butoxycarbonyl)(sulfamoyl)amino)methyl)pyrrolidine-1-carboxylate
- AKOS015895484
- (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[[(2-methylpropan-2-yl)oxycarbonyl-sulfamoylamino]methyl]pyrrolidine-1-carboxylate
- C20H28N4O9S2
- 4-nitrobenzyl (2s,4s)-4-acetylthio-2-((n-sulfamoyl-n-boc-amino)methyl)pyrrolidine-1-carboxylate
- 4-Nitrobenzyl(2S,4S)-4-acetylthio-2-[[N-sulfamoyl-N-(tert-butoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
- MFCD14635210
- A827669
- 4-Nitrobenzyl (2S,4S)-4-acetylthio-2-[[N-sulfamoyl-N-(tert-butoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
- CS-0154992
- DTXSID50659603
- 1-Pyrrolidinecarboxylic acid,4-(acetylthio)-2-[[(aminosulfonyl)[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, (4-nitrophenyl)methyl ester, (2S,4S)-
- SCHEMBL194976
- Q-101439
- (4-Nitrophenyl)methyl (2S,4S)-4-(acetylsulfanyl)-2-{[(tert-butoxycarbonyl)(sulfamoyl)amino]methyl}pyrrolidine-1-carboxylate
- 491878-06-9
- 4-Nitrobenzyl(2S,4S)-4-acetylthio-2-[[N-sulfamoyl-N-(tert-butoxycarbonyl)amino]methyl]pyrrolidine-1-carboxy
- ACS-PNZ-PYRROLIDYL-(BOC)-NSO2NH2
- Doripenem side Chain
- yrrolidine-1-carboxylate
- CN0026
- RL03808
- ST2402274
- AX8112624
MDL Number
MFCD14635210
Customs Code
2935009090
FAQ
What are the physical and chemical properties of 4-Nitrobenzyl (2S,4S)-4-(acetylsulfanyl)-2-{[{[(2-methyl-2-propanyl)oxy]carbonyl}(sulfamoyl)amino]methyl}-1-pyrrolidinecarboxylate (CAS: 491878-06-9)?
This compound is a crystalline solid with a molecular weight of approximately 630.56 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and dichloromethane. The compound is known for its reactivity, particularly towards nucleophiles and reducing agents. It exhibits a high pKa value, indicating a weak acid character.
How is 4-Nitrobenzyl (2S,4S)-4-(acetylsulfanyl)-2-{[{[(2-methyl-2-propanyl)oxy]carbonyl}(sulfamoyl)amino]methyl}-1-pyrrolidinecarboxylate (CAS: 491878-06-9) typically synthesized?
This compound is typically synthesized via a multi-step process involving acylation, sulfenylation, and amidation reactions. Key steps include the protection of the pyrrolidine hydroxyl group, followed by the introduction of the acetyl group and sulfanyl group, and finally the addition of the amidine moiety. This synthesis requires careful control of reaction conditions and the use of appropriate protecting groups.
What industries use 4-Nitrobenzyl (2S,4S)-4-(acetylsulfanyl)-2-{[{[(2-methyl-2-propanyl)oxy]carbonyl}(sulfamoyl)amino]methyl}-1-pyrrolidinecarboxylate (CAS: 491878-06-9)?
This compound is used in a variety of industries, particularly in pharmaceuticals and chemical research. It serves as a key intermediate in the synthesis of complex molecules and can be found in applications related to polymers, sensors, and semiconductors. Its unique chemical structure makes it valuable for targeted drug delivery and as a reagent in bioconjugation reactions.
What precautions should be taken when handling 4-Nitrobenzyl (2S,4S)-4-(acetylsulfanyl)-2-{[{[(2-methyl-2-propanyl)oxy]carbonyl}(sulfamoyl)amino]methyl}-1-pyrrolidinecarboxylate (CAS: 491878-06-9)?
Proper handling of this compound requires the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, handle it in a well-ventilated area with a fume hood, and use appropriate cleanup materials. Always refer to 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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