423165-13-3
- Name: 8-benzyl-3-exo-(3-isopropyl-5-methyl-4h-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
- Chemical Name: (1R,3s,5S)-8-Benzyl-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
- CAS Number: 423165-13-3
- Molecular Formula: C20H28N4
- Molecular Weight: 324.463
- Catalog: Pharmaceutical intermediate API intermediate
- Create Date: 2018-10-21 18:36:10
- Modify Date: 2024-01-02 10:22:19
| Name | (1R,3s,5S)-8-Benzyl-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane |
|---|---|
| Synonyms |
8-Azabicyclo[3.2.1]octane, 3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-(phenylmethyl)-, (3-exo)
(3-exo)-8-Benzyl-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane 8-Benzyl-3-exo-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane |
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 481.5±55.0 °C at 760 mmHg |
| Melting Point | 149ºC |
| Molecular Formula | C20H28N4 |
| Molecular Weight | 324.463 |
| Flash Point | 245.0±31.5 °C |
| Exact Mass | 324.231384 |
| PSA | 33.95000 |
| LogP | 2.96 |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.649 |
| Storage condition | 2-8°C |
| HS Code | 2933990090 |
|---|
|
~63%
423165-13-3 |
| Literature: Auspex Pharmaceuticals, Inc. Patent: US2008/146605 A1, 2008 ; Location in patent: Page/Page column 41 ; |
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~74%
423165-13-3 |
| Literature: Haycock-Lewandowski, Sarah J.; Wilder, Alexander; Ahman, Jens Organic Process Research and Development, 2008 , vol. 12, # 6 p. 1094 - 1103 |
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423165-13-3 |
| Literature: Asano, Shigehiro; Gavrilyuk, Julia; Burton, Dennis R.; Barbas, Carlos F. ACS Medicinal Chemistry Letters, 2014 , vol. 5, # 2 p. 133 - 137 |
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~%
423165-13-3 |
| Literature: Asano, Shigehiro; Gavrilyuk, Julia; Burton, Dennis R.; Barbas, Carlos F. ACS Medicinal Chemistry Letters, 2014 , vol. 5, # 2 p. 133 - 137 |
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~%
423165-13-3 |
| Literature: SHANGHAI TARGETDRUG CO., LTD.; SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES Patent: US2011/251192 A1, 2011 ; US 20110251192 A1 |
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~%
423165-13-3 |
| Literature: Asano, Shigehiro; Gavrilyuk, Julia; Burton, Dennis R.; Barbas, Carlos F. ACS Medicinal Chemistry Letters, 2014 , vol. 5, # 2 p. 133 - 137 |
|
~%
423165-13-3 |
| Literature: SHANGHAI TARGETDRUG CO., LTD.; SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES Patent: US2011/251192 A1, 2011 ; US 20110251192 A1 |
|
~%
423165-13-3 |
| Literature: SHANGHAI TARGETDRUG CO., LTD.; SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES Patent: US2011/251192 A1, 2011 ; US 20110251192 A1 |
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~%
423165-13-3 |
| Literature: SHANGHAI TARGETDRUG CO., LTD.; SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES Patent: US2011/251192 A1, 2011 ; US 20110251192 A1 |
| Precursor 9 | |
|---|---|
| DownStream 4 | |
![((S)-3-[3-(3-ISOPROPYL-5-METHYL-[1,2,4]TRIAZOL-4-YL)-8-AZA-BICYCLO[3.2.1]OCT-8-YL]-1-PHENYL-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER structure](https://image.chemsrc.com/caspic/336/376348-70-8.png)
![3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane 4-methylbenzenesulfonate structure](https://image.chemsrc.com/caspic/483/423165-08-6.png)
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |