Cas no 1402742-25-9 ((E)-tert-butyl 5-(2-(dimethylamino)vinyl)pyrazine-2-carboxylate)
1402742-25-9 structure
Product Name:(E)-tert-butyl 5-(2-(dimethylamino)vinyl)pyrazine-2-carboxylate
CAS No:1402742-25-9
MF:C13H24O12
MW:372.322465896606
CID:2119686
Update Time:2023-11-19
(E)-tert-butyl 5-(2-(dimethylamino)vinyl)pyrazine-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- (E)-tert-butyl 5-(2-(dimethylamino)vinyl)pyrazine-2-carboxylate
- CID 139291427
- 2-Pyrazinecarboxylic acid, 5-[2-(dimethylamino)ethenyl]-, 1,1-dimethylethyl ester
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- Inchi： 1S/C13H24O12/c14-2-1-5-6(17)7(18)10(21)13(24-5)25-11(4(16)3-15)8(19)9(20)12(22)23/h4-11,13-21H,1-3H2,(H,22,23)
- InChI Key： HGAYYZNFPFCINJ-UHFFFAOYSA-N
- SMILES： O1C(C(C(C(C1CCO)O)O)O)OC(C(CO)O)C(C(C(=O)O)O)O
Computed Properties
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 25
- Rotatable Bond Count: 9
- Complexity: 420
- Topological Polar Surface Area: 218
Experimental Properties
- Density: 1.093±0.06 g/cm3(Predicted)
- Boiling Point: 366.5±42.0 °C(Predicted)
- pka: 6.22±0.70(Predicted)
(E)-tert-butyl 5-(2-(dimethylamino)vinyl)pyrazine-2-carboxylate Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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