361441-95-4
361441-95-4 structure
- Name: 1-(S)-adamantan-1-yl-(R)-(2-hydroxy-1-phenylethylamino)acetonitrile
- Chemical Name: (2S)-2-(1-adamantyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile
- CAS Number: 361441-95-4
- Molecular Formula: C20H26N2O
- Molecular Weight: 310.433
- Create Date: 2017-04-14 05:07:49
- Modify Date: 2024-01-29 19:16:04
| Name | (2S)-2-(1-adamantyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile |
|---|---|
| Synonyms |
TRI015
2-(S)-adamantan-1-yl-(R)-(2-hydroxy-1-phenylethylamino)acetonitrile (2S)-Adamantan-1-yl{[(1R)-2-hydroxy-1-phenylethyl]amino}acetonitrile Tricyclo[3.3.1.1]decane-1-acetonitrile, α-[[(1R)-2-hydroxy-1-phenylethyl]amino]-, (αS)- 1-(S)-adamantan-1-yl-(R)-(2-hydroxy-1-phenylethylamino)acetonitrile |
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 511.0±35.0 °C at 760 mmHg |
| Molecular Formula | C20H26N2O |
| Molecular Weight | 310.433 |
| Flash Point | 262.8±25.9 °C |
| Exact Mass | 310.204498 |
| PSA | 56.05000 |
| LogP | 4.16 |
| Vapour Pressure | 0.0±1.4 mmHg at 25°C |
| Index of Refraction | 1.599 |
|
~64%
361441-95-4 |
| Literature: BRISTOL-MYERS SQUIBB COMPANY Patent: WO2005/12249 A2, 2005 ; Location in patent: Page/Page column 35 ; WO 2005/012249 A2 |
|
~61%
361441-95-4 |
| Literature: Dong, Jizhe; Gong, Yanchun; Liu, Jun; Chen, Xiangfeng; Wen, Xiaoan; Sun, Hongbin Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 4 p. 1383 - 1393 |
|
~%
361441-95-4 |
| Literature: LEE PHARMA LIMITED; ALLA, Venkat Reddy; ALLA, Raghu Mitra; DUBEY, Ajay Kumar; REDDY, P. Ramakrishna Patent: WO2014/57495 A1, 2014 ; |
|
~%
361441-95-4 |
| Literature: LEE PHARMA LIMITED; ALLA, Venkat Reddy; ALLA, Raghu Mitra; DUBEY, Ajay Kumar; REDDY, P. Ramakrishna Patent: WO2014/57495 A1, 2014 ; |
|
~%
361441-95-4 |
| Literature: LEE PHARMA LIMITED; ALLA, Venkat Reddy; ALLA, Raghu Mitra; DUBEY, Ajay Kumar; REDDY, P. Ramakrishna Patent: WO2014/57495 A1, 2014 ; |
| Precursor 7 | |
|---|---|
| DownStream 4 | |
![tert-butyl N-[(1S)-2-[(1S,3S,5S)-3-carbamoyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]carbamate structure](https://image.chemsrc.com/caspic/118/361442-01-5.png)
![N-[(1S)-2-[(1S,3S,5S)-3-Cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]carbamic acid 1,1-dimethylethyl ester structure](https://image.chemsrc.com/caspic/495/709031-43-6.png)