2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate
![2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate Structure](https://image.chemsrc.com/caspic/137/54504-77-7.png)
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate structure
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Common Name | 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate | ||
|---|---|---|---|---|
| CAS Number | 54504-77-7 | Molecular Weight | 440.37300 | |
| Density | 1.43g/cm3 | Boiling Point | 591.3ºC at 760 mmHg | |
| Molecular Formula | C19H19F3N4O5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 311.4ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.43g/cm3 |
|---|---|
| Boiling Point | 591.3ºC at 760 mmHg |
| Molecular Formula | C19H19F3N4O5 |
| Molecular Weight | 440.37300 |
| Flash Point | 311.4ºC |
| Exact Mass | 440.13100 |
| PSA | 97.35000 |
| LogP | 1.46320 |
| Index of Refraction | 1.583 |
| InChIKey | YBURAXFNYSJMIL-UHFFFAOYSA-N |
| SMILES | CC(Oc1cccc(C(F)(F)F)c1)C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~70%
2-(1,3-dimethyl... CAS#:54504-77-7 |
| Literature: Metz; Specker Arzneimittel-Forschung/Drug Research, 1980 , vol. 30, # 116 p. 2014 - 2019 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-(3-trifluoromethyl-phenoxy)-propionic acid 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethyl ester |
| 1-(7-Theophyllinyl)-ethyl-2-<2-(m-trifluoromethylphenoxy)propionat>AC1MIBLF |
| ML 1030 |
| Propanoic acid,2-(3-(trifluoromethyl)phenoxy)-,2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate? |
| A: Molecular formula of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate is C19H19F3N4O5. |
| Q: What is the molecular weight of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate? |
| A: Molecular weight of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate is 440.37300. |
| Q: What are the upstream materials of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate? |
| A: Related upstream materials(CAS) of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate: 836-35-1;519-37-9. |
| Q: What is the English name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate? |
| A: The English name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate. |
| Q: What English synonyms does 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate have? |
| A: English synonyms of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate: 2-(3-trifluoromethyl-phenoxy)-propionic acid 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethyl ester, 1-(7-Theophyllinyl)-ethyl-2-AC1MIBLF, ML 1030, Propanoic acid,2-(3-(trifluoromethyl)phenoxy)-,2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester. |
| Q: What is the LogP of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate? |
| A: LogP of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate is 1.46320. |
| Q: What is the CAS number of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate? |
| A: CAS number of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate is 54504-77-7. |
| Q: What is the boiling point of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate? |
| A: Boiling point of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate is 591.3ºC at 760 mmHg. |
| Q: What is the Chinese name of 54504-77-7? |
| A: Chinese name of 54504-77-7 is 54504-77-7. |
| Q: What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate? |
| A: InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate is YBURAXFNYSJMIL-UHFFFAOYSA-N. |