Cas no 113451-58-4 (1-Pyrrolidinecarboxylic acid,2-[(acetylamino)methyl]-4-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester,(2S,4R)-)
![1-Pyrrolidinecarboxylic acid,2-[(acetylamino)methyl]-4-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester,(2S,4R)- structure](https://ossimg.kuujia.com/scimg/113500/113451-58-4x500.png)
113451-58-4 structure
Product Name:1-Pyrrolidinecarboxylic acid,2-[(acetylamino)methyl]-4-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester,(2S,4R)-
CAS No:113451-58-4
MF:C13H24N2O6S
MW:336.404462814331
CID:1201871
Update Time:2024-08-05
1-Pyrrolidinecarboxylic acid,2-[(acetylamino)methyl]-4-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester,(2S,4R)- Chemical and Physical Properties
Names and Identifiers
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- 1-Pyrrolidinecarboxylic acid,2-[(acetylamino)methyl]-4-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester,(2S,4R)-
- 1-Pyrrolidinecarboxylic acid, 2-[(acetylamino)methyl]-4-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester, (2S,4R)-
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- Inchi： 1S/C13H24N2O6S/c1-9(16)14-7-10-6-11(21-22(5,18)19)8-15(10)12(17)20-13(2,3)4/h10-11H,6-8H2,1-5H3,(H,14,16)/t10-,11+/m0/s1
- InChI Key： UTGNFDQJKAIIAI-WDEREUQCSA-N
- SMILES： N1(C(OC(C)(C)C)=O)C[C@H](OS(C)(=O)=O)C[C@H]1CNC(C)=O
Computed Properties
- Exact Mass: 58.0783
Experimental Properties
- Density: 1.26±0.1 g/cm3(Predicted)
- Boiling Point: 543.1±43.0 °C(Predicted)
- PSA: 0
- pka: 16.15±0.46(Predicted)
1-Pyrrolidinecarboxylic acid,2-[(acetylamino)methyl]-4-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester,(2S,4R)- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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