54049-93-3
54049-93-3 structure
- Name: 3-(diethoxyphosphorylmethyl)benzonitrile
- Chemical Name: 3-(diethoxyphosphorylmethyl)benzonitrile
- CAS Number: 54049-93-3
- Molecular Formula: C12H16NO3P
- Molecular Weight: 253.23400
- Create Date: 2016-06-03 18:00:44
- Modify Date: 2025-09-18 22:49:48
| Name | 3-(diethoxyphosphorylmethyl)benzonitrile |
|---|---|
| Synonyms |
3-(diethylphosphonomethyl)benzonitrile
diethyl 3-cyanophenylmethylphosphonate diethyl <(3-cyanophenyl)methyl>Phosphonic acid,[(3-cyanophenyl)methyl]-,diethyl ester diethyl 3-(cyanobenzyl)phosphonate (3-cyanobenzyl)phosphonic acid diethyl ester |
| Density | 1.14g/cm3 |
|---|---|
| Boiling Point | 385.4ºC at 760 mmHg |
| Molecular Formula | C12H16NO3P |
| Molecular Weight | 253.23400 |
| Flash Point | 186.9ºC |
| Exact Mass | 253.08700 |
| PSA | 69.13000 |
| LogP | 3.32438 |
| Index of Refraction | 1.498 |
|
~83%
54049-93-3 |
| Literature: SmithKline Beecham Corporation Patent: US5861421 A1, 1999 ; |
|
~94%
54049-93-3 |
| Literature: Bigge, Christopher F.; Johnson, Graham; Ortwine, Daniel F.; Drummond, James T.; Retz, Daniel M.; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 8 p. 1371 - 1384 |
|
~94%
54049-93-3 |
| Literature: Armesto, Diego; Ortiz, Maria J.; Agarrabeitia, Antonia R.; Martin-Fontecha, Mar Organic Letters, 2005 , vol. 7, # 13 p. 2687 - 2690 |
|
~%
54049-93-3 |
| Literature: Detert, Heiner; Sugiono, Erli Journal of Physical Organic Chemistry, 2000 , vol. 13, # 10 p. 587 - 590 |
|
~%
54049-93-3 |
| Literature: Detert, Heiner; Schollmeyer, Dieter; Sugiono, Erli European Journal of Organic Chemistry, 2001 , # 15 p. 2927 - 2938 |
|
~%
54049-93-3 |
| Literature: Deng, Lijuan; Guo, Xiuli; Zhai, Li; Song, Yuning; Chen, Hongfei; Zhan, Peng; Wu, Jingde; Liu, Xinyong Chemical Biology and Drug Design, 2012 , vol. 79, # 5 p. 731 - 739 |
| Precursor 6 | |
|---|---|
| DownStream 0 | |