57444-27-6
57444-27-6 structure
- Name: 2-(2H3)Methyl(1,1,1-2H3)-3-butyn-2-ol
- Chemical Name: 2-methyl-d3-3-butyn-1,1,1-d3-2-ol
- CAS Number: 57444-27-6
- Molecular Formula: C5H2D6O
- Molecular Weight: 90.153
- Create Date: 2018-08-02 08:23:01
- Modify Date: 2025-08-25 04:12:21
| Name | 2-methyl-d3-3-butyn-1,1,1-d3-2-ol |
|---|---|
| Synonyms |
3-Butyn-1,1,1-d-2-ol, 2-(methyl-d)-
2-(H)Methyl(1,1,1-H)-3-butyn-2-ol 2-(H)Methyl(1,1,1-H)but-3-yn-2-ol 1,1,1-trideuterio-2-trideuteriomethyl-but-3-yn-2-ol PT-4 |
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 104.2±8.0 °C at 760 mmHg |
| Molecular Formula | C5H2D6O |
| Molecular Weight | 90.153 |
| Flash Point | 25.0±0.0 °C |
| Exact Mass | 90.095177 |
| PSA | 20.23000 |
| LogP | 0.32 |
| Vapour Pressure | 17.2±0.4 mmHg at 25°C |
| Index of Refraction | 1.444 |
|
~%
57444-27-6 |
| Literature: CONCERT PHARMACEUTICALS, INC.; HARBESON, Scott, L.; TUNG, Roger, D.; LIU, Julie, F. Patent: WO2011/11712 A1, 2011 ; Location in patent: Page/Page column 41-42 ; WO 2011/011712 A1 |
|
~42%
57444-27-6 |
| Literature: Wadsworth, Alan H.; Lawrie, Kenneth W. M. Journal of Labelled Compounds and Radiopharmaceuticals, 2007 , vol. 50, # 5-6 p. 473 - 474 |
|
~%
57444-27-6 |
| Literature: Pasto, Daniel J.; Warren, Steven E. Journal of Organic Chemistry, 1981 , vol. 46, # 14 p. 2842 - 2846 |
|
~56%
57444-27-6 |
| Literature: Kolbe, Adelheid; Fuchs, Petra; Porzel, Andrea; Baumeister, Ute; Kolbe, Alfred; Adam, Guenter Journal of the Chemical Society. Perkin Transactions 1, 2002 , # 17 p. 2022 - 2027 |
|
~%
57444-27-6 |
| Literature: Wadsworth, Alan H.; Lawrie, Kenneth W. M. Journal of Labelled Compounds and Radiopharmaceuticals, 2007 , vol. 50, # 5-6 p. 473 - 474 |
|
~%
57444-27-6 |
| Literature: Stanjek, Volker; Miksch, Martin; Boland, Wilhelm Tetrahedron, 1997 , vol. 53, # 52 p. 17699 - 17710 |
