Methyl 3-oxo-3-(4-pyridinyl)propanoate
Methyl 3-oxo-3-(4-pyridinyl)propanoate structure
|
Common Name | Methyl 3-oxo-3-(4-pyridinyl)propanoate | ||
|---|---|---|---|---|
| CAS Number | 829-45-8 | Molecular Weight | 179.173 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 276.5±15.0 °C at 760 mmHg | |
| Molecular Formula | C9H9NO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 121.0±20.4 °C | |
Summary: Methyl 3-(4-Pyridyl)-3-oxopropanoate, also known as Methyl 3-oxo-3-(4-pyridinyl)propanoate, has a CAS number of 829-45-8 and a molecular formula of C9H9NO3 with a molecular weight of 179.173. 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 3-(4-Pyridyl)-3-oxopropanoate |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 276.5±15.0 °C at 760 mmHg |
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.173 |
| Flash Point | 121.0±20.4 °C |
| Exact Mass | 179.058243 |
| PSA | 56.26000 |
| LogP | -0.09 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.515 |
| InChIKey | KJDIWFXVVDOKCM-UHFFFAOYSA-N |
| SMILES | COC(=O)CC(=O)c1ccncc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933399090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~55%
Methyl 3-oxo-3-... CAS#:829-45-8 |
| Literature: Chemical Communications, , vol. 49, # 15 p. 1521 - 1523 |
|
~84%
Methyl 3-oxo-3-... CAS#:829-45-8 |
| Literature: Journal of the American Chemical Society, , vol. 115, # 25 p. 11705 - 11715 |
|
~%
Methyl 3-oxo-3-... CAS#:829-45-8 |
| Literature: WO2011/138250 A1, ; Page/Page column 7-9 ; |
|
~%
Methyl 3-oxo-3-... CAS#:829-45-8 |
| Literature: Journal of Medicinal Chemistry, , vol. 55, # 5 p. 1868 - 1897 |
|
~%
Methyl 3-oxo-3-... CAS#:829-45-8 |
| Literature: Journal of the American Chemical Society, , vol. 115, # 25 p. 11705 - 11715 |
|
~%
Methyl 3-oxo-3-... CAS#:829-45-8 |
| Literature: WO2011/138250 A1, ; |
|
~%
Methyl 3-oxo-3-... CAS#:829-45-8 |
| Literature: WO2011/138250 A1, ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 3 | |
CAS#:92906-36-0
CAS#:101421-76-5
CAS#:841-97-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933399090 |
|---|---|
| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Methyl 3-oxo-3-(4-pyridinyl)propanoate |
| methyl 3-oxo-3-(pyridin-4-yl)propanoate |
| 4-Pyridinepropanoic acid, β-oxo-, methyl ester |
| methyl 3-oxo-3-pyridin-4-ylpropanoate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does Methyl 3-(4-Pyridyl)-3-oxopropanoate have? |
| A: English synonyms of Methyl 3-(4-Pyridyl)-3-oxopropanoate: Methyl 3-oxo-3-(4-pyridinyl)propanoate, methyl 3-oxo-3-(pyridin-4-yl)propanoate, 4-Pyridinepropanoic acid, β-oxo-, methyl ester, methyl 3-oxo-3-pyridin-4-ylpropanoate. |
| Q: What is the boiling point of Methyl 3-(4-Pyridyl)-3-oxopropanoate? |
| A: Boiling point of Methyl 3-(4-Pyridyl)-3-oxopropanoate is 276.5±15.0 °C at 760 mmHg. |
| Q: What is the CAS number of Methyl 3-(4-Pyridyl)-3-oxopropanoate? |
| A: CAS number of Methyl 3-(4-Pyridyl)-3-oxopropanoate is 829-45-8. |
| Q: What are the downstream products of Methyl 3-(4-Pyridyl)-3-oxopropanoate? |
| A: Related downstream products(CAS) of Methyl 3-(4-Pyridyl)-3-oxopropanoate: 92906-36-0;101421-76-5;841-97-4. |
| Q: What is the LogP of Methyl 3-(4-Pyridyl)-3-oxopropanoate? |
| A: LogP of Methyl 3-(4-Pyridyl)-3-oxopropanoate is -0.09. |
| Q: What is the molecular formula of Methyl 3-(4-Pyridyl)-3-oxopropanoate? |
| A: Molecular formula of Methyl 3-(4-Pyridyl)-3-oxopropanoate is C9H9NO3. |
| Q: What is the molecular weight of Methyl 3-(4-Pyridyl)-3-oxopropanoate? |
| A: Molecular weight of Methyl 3-(4-Pyridyl)-3-oxopropanoate is 179.173. |
| Q: What is the polar surface area (PSA) of Methyl 3-(4-Pyridyl)-3-oxopropanoate? |
| A: Polar surface area (PSA) of Methyl 3-(4-Pyridyl)-3-oxopropanoate is 56.26000. |
| Q: What is the InChIKey of Methyl 3-(4-Pyridyl)-3-oxopropanoate? |
| A: InChIKey of Methyl 3-(4-Pyridyl)-3-oxopropanoate is KJDIWFXVVDOKCM-UHFFFAOYSA-N. |
| Q: What is the English name of Methyl 3-(4-Pyridyl)-3-oxopropanoate? |
| A: The English name of Methyl 3-(4-Pyridyl)-3-oxopropanoate is Methyl 3-(4-Pyridyl)-3-oxopropanoate. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |