Cas no 1296883-33-4 (1-Pyrrolidinecarboxylic acid, 3-(1,1-dimethylethoxy)-, 1,1-dimethylethyl ester, (3S)-)
1296883-33-4 structure
Product Name:1-Pyrrolidinecarboxylic acid, 3-(1,1-dimethylethoxy)-, 1,1-dimethylethyl ester, (3S)-
CAS No:1296883-33-4
MF:C13H25NO3
MW:243.342504262924
CID:2137937
Update Time:2023-11-19
1-Pyrrolidinecarboxylic acid, 3-(1,1-dimethylethoxy)-, 1,1-dimethylethyl ester, (3S)- Chemical and Physical Properties
Names and Identifiers
-
- (S)-tert-butyl 3-tert-butoxypyrrolidine-1-carboxylate
- CID 121004172
- 1-Pyrrolidinecarboxylic acid, 3-(1,1-dimethylethoxy)-, 1,1-dimethylethyl ester, (3S)-
-
- Inchi： 1S/C13H25NO3/c1-12(2,3)16-10-7-8-14(9-10)11(15)17-13(4,5)6/h10H,7-9H2,1-6H3/t10-/m0/s1
- InChI Key： XZHJMHDXHHIAEU-JTQLQIEISA-N
- SMILES： O(C(C)(C)C)[C@@H]1CN(C(=O)OC(C)(C)C)CC1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 275
- Topological Polar Surface Area: 38.8
Experimental Properties
- Density: 1.00±0.1 g/cm3(Predicted)
- Boiling Point: 297.2±33.0 °C(Predicted)
- pka: -2.48±0.40(Predicted)
1-Pyrrolidinecarboxylic acid, 3-(1,1-dimethylethoxy)-, 1,1-dimethylethyl ester, (3S)- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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