171178-46-4
171178-46-4 structure
- Name: 5-[(tert-butoxycarbonyl)amino]-2-chloroisonicotinic acid
- Chemical Name: 2-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
- CAS Number: 171178-46-4
- Molecular Formula: C11H13ClN2O4
- Molecular Weight: 272.685
- Catalog: Pharmaceutical intermediate Heterocyclic compound Pyridine compound Chloropyridine
- Create Date: 2018-06-11 17:05:25
- Modify Date: 2024-01-09 21:34:29
| Name | 2-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid |
|---|---|
| Synonyms |
4-Pyridinecarboxylic acid, 2-chloro-5-[[(1,1-dimethylethoxy)carbonyl]amino]-
5-[N-(tert-butoxycarbonyl)amino]-2-chloropyridine-4-carboxylic acid 5-Amino-2-chloroisonicotinic acid,5-BOC protected 5-Boc-amino-2-chloropyridine-4-carboxylic acid 5-[(tert-butoxy)carbonylamino]-2-chloropyridine-4-carboxylic acid 2-Chloro-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)isonicotinic acid 5-((tert-butoxycarbonyl)amino)-2-chloroisonicotinic acid |
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 420.6±45.0 °C at 760 mmHg |
| Molecular Formula | C11H13ClN2O4 |
| Molecular Weight | 272.685 |
| Flash Point | 208.2±28.7 °C |
| Exact Mass | 272.056396 |
| PSA | 88.52000 |
| LogP | 4.38 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.588 |
| Risk Phrases | 20/21/22 |
|---|---|
| Safety Phrases | 36/37-24/25 |
| HS Code | 2933399090 |
|
~68%
171178-46-4 |
| Literature: WARNER-LAMBERT COMPANY LLC Patent: WO2005/16926 A1, 2005 ; Location in patent: Page/Page column 114-115 ; WO 2005/016926 A1 |
|
~57%
171178-46-4 |
| Literature: Warner-Lambert Company Patent: US5654307 A1, 1997 ; US 5654307 A |
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~%
171178-46-4 |
| Literature: WO2006/24834 A1, ; Page/Page column 74-75 ; WO 2006/024834 A1 |
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~%
171178-46-4 |
| Literature: EP1171440 B1, ; Page 59 ; |
|
~34%
171178-46-4 |
| Literature: Gavai, Ashvinikumar V.; Norris, Derek J.; Han, Wen-Ching; Vite, Gregory D.; Fink, Brian E.; Tokarski, John S. Patent: US2005/192310 A1, 2005 ; Location in patent: Page/Page column 28 ; |
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~%
171178-46-4 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 11, # 11 p. 1401 - 1405 |
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~%
171178-46-4 |
| Literature: Journal of the Chemical Society - Perkin Transactions 1, , # 18 p. 2221 - 2226 |
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~%
171178-46-4 |
| Literature: Journal of the Chemical Society - Perkin Transactions 1, , # 18 p. 2221 - 2226 |
| Precursor 7 | |
|---|---|
| DownStream 3 | |
![6-Chloropyrido[3,4-d]pyrimidin-4(3H)-one structure](https://image.chemsrc.com/caspic/205/171178-47-5.png)
![methyl 2-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate structure](https://image.chemsrc.com/caspic/269/305371-42-0.png)
| 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% |