7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one
7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one structure
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Common Name | 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one | ||
|---|---|---|---|---|
| CAS Number | 116337-70-3 | Molecular Weight | 233.26300 | |
| Density | 1.138g/cm3 | Boiling Point | 460.3ºC at 760mmHg | |
| Molecular Formula | C13H15NO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 232.2ºC | |
Summary: 7-Acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one (CAS: 116337-70-3), with molecular formula C13H15NO3 and molecular weight 233.26300. The boiling point is 460.3°C at 760mmHg and the density is 1.138g/cm3. 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 | 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.138g/cm3 |
|---|---|
| Boiling Point | 460.3ºC at 760mmHg |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.26300 |
| Flash Point | 232.2ºC |
| Exact Mass | 233.10500 |
| PSA | 46.61000 |
| LogP | 2.08800 |
| Vapour Pressure | 1.18E-08mmHg at 25°C |
| Index of Refraction | 1.529 |
| InChIKey | CTIBYWYNVICJDZ-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc2c(c1)OC(C)(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%
7-acetyl-2,2,4-... CAS#:116337-70-3 |
| Literature: Farmaco, , vol. 46, # 2 p. 339 - 355 |
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~75%
7-acetyl-2,2,4-... CAS#:116337-70-3 |
| Literature: European Journal of Medicinal Chemistry, , vol. 24, p. 55 - 60 |
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~%
7-acetyl-2,2,4-... CAS#:116337-70-3 |
| Literature: European Journal of Medicinal Chemistry, , vol. 24, p. 55 - 60 |
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~%
7-acetyl-2,2,4-... CAS#:116337-70-3 |
| Literature: European Journal of Medicinal Chemistry, , vol. 24, p. 55 - 60 |
![1-[3-hydroxy-4-(methylamino)phenyl]ethanone structure](https://image.chemsrc.com/caspic/145/54903-57-0.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 3 | |
CAS#:135420-35-8![7-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one structure](https://image.chemsrc.com/caspic/007/123172-61-2.png)
CAS#:123172-61-2
CAS#:123172-58-7This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: Molecular weight of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one is 233.26300. |
| Q: What are the downstream products of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: Related downstream products(CAS) of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one: 135420-35-8;123172-61-2;123172-58-7. |
| Q: What is the English name of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: The English name of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one is 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one. |
| Q: What is the Chinese name of 116337-70-3? |
| A: Chinese name of 116337-70-3 is 116337-70-3. |
| Q: What is the boiling point of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: Boiling point of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one is 460.3ºC at 760mmHg. |
| Q: What is the LogP of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: LogP of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one is 2.08800. |
| Q: What is the InChIKey of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: InChIKey of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one is CTIBYWYNVICJDZ-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: Polar surface area (PSA) of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one is 46.61000. |
| Q: What are the upstream materials of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: Related upstream materials(CAS) of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one: 13222-26-9;54903-57-0;600-00-0;54903-61-6;21892-80-8. |
| Q: What is the SMILES notation of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one? |
| A: SMILES notation of 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one is CC(=O)c1ccc2c(c1)OC(C)(C)C(=O)N2C. |