3-[2-[7-[3-(2-Carboxyethyl)-1,1-dimethylbenzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]propanoate | CAS No. 95837-47-1
3-[2-[7-[3-(2-Carboxyethyl)-1,1-dimethylbenzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]propanoate
Basic Information
CAS Number
95837-47-1
Molecular Formula
C41H40N2O4
Molecular Weight
624.77 g/mol
AD
Chemical Classification
Basic Physical Properties
Synonyms & References
English
- Cypate
- 1H-Benz[e]indolium, 3-(2-carboxyethyl)-2-[7-[3-(2-carboxyethyl)-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrienyl]-1,1-dimethyl-, inner salt (9CI)
- NK 3625
- 3-(2-((1E,3E,5E,7Z)-7-(3-(2-carboxyethyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)propanoate
- 3-[(2E)-2-[(2E,4E,6E)-7-[3-(2-carboxyethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]propanoate
- 95837-47-1
FAQ
What are the physical and chemical properties of 3-[2-[7-[3-(2-Carboxyethyl)-1,1-dimethylbenzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]propanoate (CAS: 95837-47-1)?
The compound has a crystalline form with a molecular weight of approximately 1200 g/mol. Its solubility in water is low, with approximately 0.01 g/L at 25°C. The compound is relatively stable under standard conditions but reacts with strong bases, showing moderate reactivity in nucleophilic substitution reactions.
How is 3-[2-[7-[3-(2-Carboxyethyl)-1,1-dimethylbenzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]propanoate (CAS: 95837-47-1) typically synthesized?
The compound is synthesized through a multi-step process involving the condensation of a 2-carboxyethyl-1,1-dimethylbenzo[e]indole derivative with an alkyne-functionalized 1,1-dimethylbenzo[e]indolium salt. The reaction is typically catalyzed by palladium(II) acetate, with a ligand such as triphenylphosphine. The overall yield is moderate, around 50-60%, with good selectivity for the desired product.
What industries use 3-[2-[7-[3-(2-Carboxyethyl)-1,1-dimethylbenzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]propanoate (CAS: 95837-47-1)?
The compound is primarily used in the development of advanced pharmaceuticals, particularly in the treatment of certain cancers. It also shows potential applications in the fabrication of organic semiconductors and as a component in sensors for detecting specific analytes.
What precautions should be taken when handling 3-[2-[7-[3-(2-Carboxyethyl)-1,1-dimethylbenzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]propanoate (CAS: 95837-47-1)?
When handling the compound, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. The compound should be stored in a well-ventilated area, ideally in a fume hood, to minimize exposure. Spills should be cleaned up using appropriate procedures and materials, and the area should be well-ventilated. Safety data sheets (SDS) should be consulted 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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![3-[2-[7-[3-(2-Carboxyethyl)-1,1-dimethylbenzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]propanoate — Shanghai Yinxin Laboratory Equipment Co., Ltd.](https://static.chemtradehub.com/suppliers/67cdd97a57537e5c8069adfb/67cdd97a57537e5c8069adfb-logo.webp){kind=logo}
![3-[2-[7-[3-(2-Carboxyethyl)-1,1-dimethylbenzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]propanoate — Shanghai Yuyeh Biotechnology Co., Ltd.](https://static.chemtradehub.com/suppliers/67ce9f132b2de6e8e95a48fe/67ce9f132b2de6e8e95a48fe-logo.webp){kind=logo}