METHYL 4-AMINO-3-FLUOROBENZENECARBOXYLATE
METHYL 4-AMINO-3-FLUOROBENZENECARBOXYLATE structure
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Common Name | METHYL 4-AMINO-3-FLUOROBENZENECARBOXYLATE | ||
|---|---|---|---|---|
| CAS Number | 194673-12-6 | Molecular Weight | 237.176 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 294.0±40.0 °C at 760 mmHg | |
| Molecular Formula | C9H10F3NO3 | Melting Point | 128-130 °C | |
| MSDS | N/A | Flash Point | 131.6±27.3 °C | |
Summary: ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate (CAS: 194673-12-6, molecular formula: C9H10F3NO3, molecular weight: 237.176) is 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 | ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 294.0±40.0 °C at 760 mmHg |
| Melting Point | 128-130 °C |
| Molecular Formula | C9H10F3NO3 |
| Molecular Weight | 237.176 |
| Flash Point | 131.6±27.3 °C |
| Exact Mass | 237.061279 |
| PSA | 55.40000 |
| LogP | 2.18 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.443 |
| InChIKey | QTHTZBDPNNJDRG-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C1=C(C(F)(F)F)NC(=O)CC1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2933399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~9%
METHYL 4-AMINO-... CAS#:194673-12-6 |
| Literature: PHENEX PHARMACEUTICALS AG; KREMOSER, Claus; ABEL, Ulrich; STEENECK, Christoph; KINZEL, Olaf Patent: WO2011/20615 A1, 2011 ; Location in patent: Page/Page column 65; 66 ; |
|
~36%
METHYL 4-AMINO-... CAS#:194673-12-6 |
| Literature: Hebeisen, Paul; Panousis, Constantinos G.; Roever, Stephan; Waldmeier, Pius; Wright, Matthew Patent: US2009/247588 A1, 2009 ; Location in patent: Page/Page column 10 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
This 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 contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: USP8 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 8
External Id: USP8 FAST DUB HTS Primary
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Name: USP17 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 17 like family member 5
External Id: USP17 FAST DUB HTS Primary
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Name: USP7 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 7
External Id: USP7 FAST DUB HTS Primary
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Name: USP28 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 28
External Id: USP28 FAST DUB HTS Primary
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Name: USP10 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 10
External Id: USP10 FAST DUB HTS Primary
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Name: UCHL1 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin C-terminal hydrolase L1
External Id: UCHL1 FAST DUB HTS Primary
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Name: OTUD3 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: OTU deubiquitinase 3
External Id: OTUD3 FAST DUB HTS Primary
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Name: USP30 deubiquitinase inhibition: Primary qHTS
Source: 24642
Target: ubiquitin specific peptidase 30
External Id: USP30 FAST DUB HTS Primary
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| ethyl 6-oxo-1,4,5,6-tetrahydro-2-(trifluoromethyl)pyridine-3-carboxylate |
| 3-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-6-oxo-2-(trifluoromethyl)-, ethyl ester |
| T6MV EUTJ EVO2 FXFFF |
| ethyl 2-(trifluoromethyl)-1,4,5,6-tetrahydro-6-pyridone-3-carboxylate |
| 6-hydroxy-2-trifluoromethyl-4,5-dihydro-pyridine-3-carboxylic acid ethyl ester |
| Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydro-3-pyridinecarboxylate |
| Ethyl-6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydro-3-pyridinecarboxylate |
| ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate? |
| A: CAS number of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate is 194673-12-6. |
| Q: What is the English name of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate? |
| A: The English name of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate is ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate. |
| Q: What is the SMILES notation of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate? |
| A: SMILES notation of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate is CCOC(=O)C1=C(C(F)(F)F)NC(=O)CC1. |
| Q: What is the boiling point of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate? |
| A: Boiling point of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate is 294.0±40.0 °C at 760 mmHg. |
| Q: What are the upstream materials of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate? |
| A: Related upstream materials(CAS) of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate: 79-06-1;372-31-6;814-68-6;372-29-2. |
| Q: What is the melting point of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate? |
| A: Melting point of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate is 128-130 °C. |
| Q: What is the molecular formula of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate? |
| A: Molecular formula of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate is C9H10F3NO3. |
| Q: What is the LogP of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate? |
| A: LogP of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate is 2.18. |
| Q: What is the polar surface area (PSA) of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate? |
| A: Polar surface area (PSA) of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate is 55.40000. |
| Q: What is the molecular weight of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate? |
| A: Molecular weight of ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate is 237.176. |
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. |