870823-08-8
870823-08-8 structure
- Name: (S)-ethyl 4-(1-(3-(3,5-dichlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)ethyl)benzoate
- Chemical Name: Ethyl 4-{(1S)-1-[3-(3,5-dichlorophenyl)-5-oxo-4,5-dihydro-1H-pyra zol-1-yl]ethyl}benzoate
- CAS Number: 870823-08-8
- Molecular Formula: C20H18Cl2N2O3
- Molecular Weight: 405.27500
- Create Date: 2016-11-04 07:31:41
- Modify Date: 2024-08-07 08:49:42
| Name | Ethyl 4-{(1S)-1-[3-(3,5-dichlorophenyl)-5-oxo-4,5-dihydro-1H-pyra zol-1-yl]ethyl}benzoate |
|---|---|
| Synonyms |
1-Ethoxycarbonyl-4-(3-trifluoromethyl-4-chlorophenyl)-4-piperidinol
4-(4-chloro-3-trifluoromethyl-phenyl)-4-hydroxy-piperidine-1-carboxylic acid ethyl ester 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidinecarboxylic acid ethyl ester 1-Ethoxycarbonyl-4-(3-trifluormethyl-4-chlorphenyl)-4-piperidinol ethyl 4-{(1S)1-[3-(3,5-dichlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]ethyl}benzoate |
| Molecular Formula | C20H18Cl2N2O3 |
|---|---|
| Molecular Weight | 405.27500 |
| Exact Mass | 404.06900 |
| PSA | 58.97000 |
| LogP | 4.24120 |
|
~%
870823-08-8 |
| Literature: Parmee, Emma R.; Xiong, Yusheng; Guo, Jian; Liang, Rui; Brockunier, Linda Patent: US2005/272794 A1, 2005 ; Location in patent: Page/Page column 26 ; US 20050272794 A1 |
|
~67%
870823-08-8 |
| Literature: Xiong, Yusheng; Guo, Jian; Candelore, Mari R.; Liang, Rui; Miller, Corey; Dallas-Yang, Qing; Jiang, Guoqiang; McCann, Peggy E.; Qureshi, Sajjad A.; Tong, Xinchun; Xu, Shiyao Sherrie; Shang, Jackie; Vincent, Stella H.; Tota, Laurie M.; Wright, Michael J.; Yang, Xiaodong; Zhang, Bei B.; Tata, James R.; Parmee, Emma R. Journal of Medicinal Chemistry, 2012 , vol. 55, # 13 p. 6137 - 6148 |
| Precursor 3 | |
|---|---|
| DownStream 1 | |
