methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate
![methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate Structure](https://image.chemsrc.com/caspic/314/486460-08-6.png)
methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate structure
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Common Name | methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate | ||
|---|---|---|---|---|
| CAS Number | 486460-08-6 | Molecular Weight | 333.30300 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C15H18F3NO4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: (R)-N-(tert-butoxycarbonyl)-2,4,5-trifluorobenzylamine methyl ester, Chinese name: (R)-N-(tert-butoxycarbonyl)-2,4,5-trifluorobenzylamine methyl ester, CAS number: 486460-08-6, molecular formula: C15H18F3NO4, molecular weight: 333.30300. 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 (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C15H18F3NO4 |
|---|---|
| Molecular Weight | 333.30300 |
| Exact Mass | 333.11900 |
| PSA | 64.63000 |
| LogP | 3.10360 |
| InChIKey | GHYSWEVKQJYCJQ-GFCCVEGCSA-N |
| SMILES | COC(=O)C(Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
methyl (2r)-2-[... CAS#:486460-08-6 |
| Literature: Kim, Dooseop; Wang, Liping; Beconi, Maria; Eiermann, George J.; Fisher, Michael H.; He, Huaibing; Hickey, Gerard J.; Kowalchick, Jennifer E.; Leiting, Barbara; Lyons, Kathryn; Marsilio, Frank; McCann, Margaret E.; Patel, Reshma A.; Petrov, Aleksandr; Scapin, Giovanna; Patel, Sangita B.; Roy, Ranabir Sinha; Wu, Joseph K.; Wyvratt, Matthew J.; Zhang, Bei B.; Zhu, Lan; Thornberry, Nancy A.; Weber, Ann E. Journal of Medicinal Chemistry, 2005 , vol. 48, # 1 p. 141 - 151 |
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~%
methyl (2r)-2-[... CAS#:486460-08-6 |
| Literature: MERCK and CO., INC. Patent: WO2004/7468 A1, 2004 ; Location in patent: Page 44 ; WO 2004/007468 A1 |
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~%
methyl (2r)-2-[... CAS#:486460-08-6 |
| Literature: MERCK and CO., INC. Patent: WO2006/23750 A2, 2006 ; Location in patent: Page/Page column 43 ; WO 2006/023750 A2 |
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~87%
methyl (2r)-2-[... CAS#:486460-08-6 |
| Literature: Zhu, Linrong; Li, Yuanyuan; Qiu, Ling; Su, Mingbo; Wang, Xin; Xia, Chunmei; Qu, Yi; Li, Jingya; Li, Jia; Xiong, Bing; Shen, Jingkang ChemMedChem, 2013 , vol. 8, # 7 p. 1104 - 1116 |
|
~%
methyl (2r)-2-[... CAS#:486460-08-6 |
| Literature: Kim, Dooseop; Wang, Liping; Beconi, Maria; Eiermann, George J.; Fisher, Michael H.; He, Huaibing; Hickey, Gerard J.; Kowalchick, Jennifer E.; Leiting, Barbara; Lyons, Kathryn; Marsilio, Frank; McCann, Margaret E.; Patel, Reshma A.; Petrov, Aleksandr; Scapin, Giovanna; Patel, Sangita B.; Roy, Ranabir Sinha; Wu, Joseph K.; Wyvratt, Matthew J.; Zhang, Bei B.; Zhu, Lan; Thornberry, Nancy A.; Weber, Ann E. Journal of Medicinal Chemistry, 2005 , vol. 48, # 1 p. 141 - 151 |
|
~%
methyl (2r)-2-[... CAS#:486460-08-6 |
| Literature: Zhu, Linrong; Li, Yuanyuan; Qiu, Ling; Su, Mingbo; Wang, Xin; Xia, Chunmei; Qu, Yi; Li, Jingya; Li, Jia; Xiong, Bing; Shen, Jingkang ChemMedChem, 2013 , vol. 8, # 7 p. 1104 - 1116 |
|
~%
methyl (2r)-2-[... CAS#:486460-08-6 |
| Literature: Zhu, Linrong; Li, Yuanyuan; Qiu, Ling; Su, Mingbo; Wang, Xin; Xia, Chunmei; Qu, Yi; Li, Jingya; Li, Jia; Xiong, Bing; Shen, Jingkang ChemMedChem, 2013 , vol. 8, # 7 p. 1104 - 1116 |
![Pyrazine, 2,5-dihydro-3,6-dimethoxy-2-(1-methylethyl)-5-[(2,4,5-trifluorophenyl)methyl]-, (2S,5R) structure](https://www.chemsrc.com/extcaspic/352/486460-07-5.png)
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate? |
| A: InChIKey of methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate is GHYSWEVKQJYCJQ-GFCCVEGCSA-N. |
| Q: What is the molecular formula of methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate? |
| A: Molecular formula of methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate is C15H18F3NO4. |
| Q: What is the LogP of methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate? |
| A: LogP of methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate is 3.10360. |
| Q: What is the English name of methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate? |
| A: The English name of methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate is methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate. |
| Q: What is the polar surface area (PSA) of methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate? |
| A: Polar surface area (PSA) of methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate is 64.63000. |
| Q: What is the CAS number of methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate? |
| A: CAS number of methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate is 486460-08-6. |
| Q: What is the molecular weight of methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate? |
| A: Molecular weight of methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate is 333.30300. |
| Q: What is the SMILES notation of methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate? |
| A: SMILES notation of methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-(2,4,5-trifluorophenyl)propanoate is COC(=O)C(Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C. |