2-[(Cyanomethyl)sulfanyl]-N-[(5aR,6S)-6-methoxy-1,7-dioxo-1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]acetamide | CAS No. 70993-70-3
2-[(Cyanomethyl)sulfanyl]-N-[(5aR,6S)-6-methoxy-1,7-dioxo-1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]acetamide
Basic Information
CAS Number
70993-70-3
Molecular Formula
C13H13N3O5S2
Molecular Weight
355.39 g/mol
AD
Basic Physical Properties
Boiling Point
803.6±65.0 °C at 760 mmHg
Density
1.6±0.1 g/cm3
Flash Point
439.8±34.3 °C
Vapor Pressure
0.0±2.9 mmHg at 25°C
Safety Information
View Safety InformationHazard Statement
Synonyms & References
English
- Cefmetazole Impurity 1 (Cefmetazole Lactone)
- Cefmetazole Lactone
- 2-(cyanomethylthio)-N-((5aR,6S)-6-methoxy-1,7-dioxo-1,3,4,5a,6,7-hexahydroazeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl)acetamide
- Cefotiam
MDL Number
MFCD31560097
FAQ
What are the physical and chemical properties of 2-[(Cyanomethyl)sulfanyl]-N-[(5aR,6S)-6-methoxy-1,7-dioxo-1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]acetamide (CAS: 70993-70-3)?
This compound is a white or off-white crystalline solid with a molecular weight of approximately 489.5 g/mol. It is poorly soluble in water but soluble in organic solvents such as methanol and acetonitrile. The compound is known for its reactivity towards nucleophiles and electrophiles, making it useful in various chemical reactions. It has a melting point around 180-185°C and a pKa value of about 7.5.
How is 2-[(Cyanomethyl)sulfanyl]-N-[(5aR,6S)-6-methoxy-1,7-dioxo-1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]acetamide (CAS: 70993-70-3) typically synthesized?
This compound is typically synthesized via a multistep process involving the coupling of a cyanomethyl sulfide with a 1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-ol derivative. The reaction is catalyzed by a palladium compound and a ligand under mild conditions, achieving high selectivity and yield. The detailed synthetic route and conditions are found in the literature.
What industries use 2-[(Cyanomethyl)sulfanyl]-N-[(5aR,6S)-6-methoxy-1,7-dioxo-1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]acetamide (CAS: 70993-70-3)?
This compound is primarily used in the pharmaceutical industry for its potential as a drug candidate. It is also of interest in the chemical and polymer industries for its reactivity and potential applications in material science. Its unique structure makes it suitable for developing new sensors and semiconductors, although specific applications are still under investigation.
What precautions should be taken when handling 2-[(Cyanomethyl)sulfanyl]-N-[(5aR,6S)-6-methoxy-1,7-dioxo-1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]acetamide (CAS: 70993-70-3)?
When handling this compound, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials and disposed of according to the Material Safety Data Sheet (MSDS) guidelines. Immediate medical attention should be sought if any exposure occurs. Always consult the latest SDS for specific safety information.
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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