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4-(1-Methyl-4-piperidinylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one (2E)-2-butenedioate (1:1)(CAS: 34580-14-8)

4-(1-Methyl-4-piperidinylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one (2E)-2-butenedioate (1:1)
CAS Number

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Basic Information

Molecular Formula
C23H23NO5S
Molecular Weight
425.51 g/mol

Physical Properties

Melting Point
192°C(dec.)(lit.)
Boiling Point
No data available
Density
0.9550
Flash Point
No data available
Water Solubility
Soluble in water (10 mg/ml), DMSO (100 mM), and methanol.

Chemical Identifiers

SMILES
CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=CC(=O)O)C(=O)O
InChIKey
YNQQEYBLVYAWNX-WLHGVMLRSA-N

Database References

MDL Number
MFCD00079394
Beilstein Registry Number
3983897

FAQ

4-(1-Methyl-4-piperidinylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one (2E)-2-butenedioate (1:1), with CAS number 34580-14-8, is a complex organic compound containing a thiophene ring fused with a cycloheptathiophene structure. It features a piperidinylidene substituent and a diester group derived from (2E)-2-butenedioic acid. The compound is typically used as an intermediate in chemical synthesis and exhibits specific solubility and reactivity properties depending on its functional groups.
This compound is primarily used in pharmaceutical research as a building block for drug development, particularly in the synthesis of bioactive molecules. It also serves as an intermediate in organic chemistry for creating derivatives with potential applications in agrochemicals, materials science, and specialty chemical manufacturing. Its unique structure makes it valuable for studying molecular interactions and catalytic processes in laboratory settings.
Safety data for this compound is limited, but it should be handled with appropriate precautions due to its complex chemical structure. Users should wear protective gloves, goggles, and ensure proper ventilation when working with it. While no specific toxicity information is widely available, adherence to standard chemical safety protocols and consulting Safety Data Sheets (SDS) is recommended to ensure compliance with regulatory guidelines like OSHA and EPA.
This compound should be stored in a cool, dry, and dark environment to maintain stability. It is recommended to keep it in a sealed, airtight container at temperatures below 25°C and humidity levels under 60%. Avoid exposure to light and ensure storage in a well-ventilated area to prevent degradation. Proper labeling and secure storage are essential for safety and efficacy.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures