3H-1,2,4-Dioxazole-3-carboxylicacid, 3-(1-methylethyl)-5-phenyl-, methyl ester
3H-1,2,4-Dioxazole-3-carboxylicacid, 3-(1-methylethyl)-5-phenyl-, methyl ester structure
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Common Name | 3H-1,2,4-Dioxazole-3-carboxylicacid, 3-(1-methylethyl)-5-phenyl-, methyl ester | ||
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| CAS Number | 64686-53-9 | Molecular Weight | 249.26200 | |
| Density | 1.19g/cm3 | Boiling Point | 297.8ºC at 760mmHg | |
| Molecular Formula | C13H15NO4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 114ºC | |
Summary: Methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate (Chinese name: 甲基5-苯基-3-丙-2-基-1,2,4-三唑-3-甲酸酯，CAS number: 64686-53-9，molecular formula: C13H15NO4)，For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate |
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This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.19g/cm3 |
|---|---|
| Boiling Point | 297.8ºC at 760mmHg |
| Molecular Formula | C13H15NO4 |
| Molecular Weight | 249.26200 |
| Flash Point | 114ºC |
| Exact Mass | 249.10000 |
| PSA | 57.12000 |
| LogP | 1.35590 |
| Index of Refraction | 1.537 |
| InChIKey | AXKZCGMOHWBGNY-UHFFFAOYSA-N |
| SMILES | COC(=O)C1(C(C)C)N=C(c2ccccc2)OO1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3H-1,2,4-Dioxaz... CAS#:64686-53-9 |
| Literature: Graziano,M.L. et al. Synthesis, 1977 , p. 572 - 573 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
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| DownStream 0 | |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate? |
| A: The English name of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate is methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate. |
| Q: What is the boiling point of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate? |
| A: Boiling point of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate is 297.8ºC at 760mmHg. |
| Q: What is the molecular formula of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate? |
| A: Molecular formula of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate is C13H15NO4. |
| Q: What are the upstream materials of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate? |
| A: Related upstream materials(CAS) of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate: 64686-59-5. |
| Q: What is the polar surface area (PSA) of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate? |
| A: Polar surface area (PSA) of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate is 57.12000. |
| Q: What is the Chinese name of 64686-53-9? |
| A: Chinese name of 64686-53-9 is 64686-53-9. |
| Q: What is the LogP of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate? |
| A: LogP of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate is 1.35590. |
| Q: What is the SMILES notation of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate? |
| A: SMILES notation of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate is COC(=O)C1(C(C)C)N=C(c2ccccc2)OO1. |
| Q: What is the InChIKey of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate? |
| A: InChIKey of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate is AXKZCGMOHWBGNY-UHFFFAOYSA-N. |
| Q: What is the CAS number of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate? |
| A: CAS number of methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate is 64686-53-9. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |