Cas no 227758-97-6 (1,2(2H)-Pyridinedicarboxylicacid, 3,4-dihydro-, 2-methyl 1-(phenylmethyl) ester, (2S)-)
227758-97-6 structure
Product Name:1,2(2H)-Pyridinedicarboxylicacid, 3,4-dihydro-, 2-methyl 1-(phenylmethyl) ester, (2S)-
CAS No:227758-97-6
MF:C15H17NO4
MW:275.299784421921
CID:245000
PubChem ID:11437303
Update Time:2025-04-19
1,2(2H)-Pyridinedicarboxylicacid, 3,4-dihydro-, 2-methyl 1-(phenylmethyl) ester, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2(2H)-Pyridinedicarboxylicacid, 3,4-dihydro-, 2-methyl 1-(phenylmethyl) ester, (2S)-
- 1-O-benzyl 2-O-methyl (2S)-3,4-dihydro-2H-pyridine-1,2-dicarboxylate
- METHYL (2S)-1-CBZ-1,2,3,4-TETRAHYDRO-2-PYRIDINECARBOXYLATE
- (2S)-3,4-dihydro-2H-pyridine-1,2-dicarboxylic acid 1-benzyl ester 2-methyl ester
- AG-E-65504
- CTK4F0153
- (S)-1-Benzyl 2-methyl 3,4-dihydropyridine-1,2(2H)-dicarboxylate
- Methyl(2S)-1-cbz-1,2,3,4-tetrahydro-2-pyridinecarboxylate
- 227758-97-6
- DTXSID20465894
-
- Inchi： 1S/C15H17NO4/c1-19-14(17)13-9-5-6-10-16(13)15(18)20-11-12-7-3-2-4-8-12/h2-4,6-8,10,13H,5,9,11H2,1H3/t13-/m0/s1
- InChI Key： IZUKUAYQEZMUBG-ZDUSSCGKSA-N
- SMILES： O(CC1C=CC=CC=1)C(N1C=CCC[C@H]1C(=O)OC)=O
Computed Properties
- Exact Mass: 275.11600
- Monoisotopic Mass: 275.11575802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 374
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.84000
- LogP: 2.41220
1,2(2H)-Pyridinedicarboxylicacid, 3,4-dihydro-, 2-methyl 1-(phenylmethyl) ester, (2S)- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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