Cas no 94266-03-2 (3,5-Pyridinedicarboxylicacid, 4-ethyl-1,4-dihydro-2,6-dimethyl-, 3-(1,1-dimethylethyl) 5-ethyl ester)
94266-03-2 structure
Product Name:3,5-Pyridinedicarboxylicacid, 4-ethyl-1,4-dihydro-2,6-dimethyl-, 3-(1,1-dimethylethyl) 5-ethyl ester
CAS No:94266-03-2
MF:C17H27NO4
MW:309.400585412979
CID:805526
PubChem ID:216399
Update Time:2025-04-19
3,5-Pyridinedicarboxylicacid, 4-ethyl-1,4-dihydro-2,6-dimethyl-, 3-(1,1-dimethylethyl) 5-ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 3,5-Pyridinedicarboxylicacid, 4-ethyl-1,4-dihydro-2,6-dimethyl-, 3-(1,1-dimethylethyl) 5-ethyl ester
- 5-O-tert-butyl 3-O-ethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- tert-butyl ethyl 4-ethyl-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
- DTXSID50915857
- NS00065344
- EINECS 304-409-8
- tert-butyl ethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- 94266-03-2
-
- Inchi： 1S/C17H27NO4/c1-8-12-13(15(19)21-9-2)10(3)18-11(4)14(12)16(20)22-17(5,6)7/h12,18H,8-9H2,1-7H3
- InChI Key： USGTYZQEEZQSHH-UHFFFAOYSA-N
- SMILES： O(C(C1=C(C)NC(C)=C(C(=O)OCC)C1CC)=O)C(C)(C)C
Computed Properties
- Exact Mass: 309.194
- Monoisotopic Mass: 309.194
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 523
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 5
- XLogP3: 3.3
- Topological Polar Surface Area: 64.6?2
Experimental Properties
- Density: 1.031
- Boiling Point: 393.7°C at 760 mmHg
- Flash Point: 191.9°C
- Refractive Index: 1.476
3,5-Pyridinedicarboxylicacid, 4-ethyl-1,4-dihydro-2,6-dimethyl-, 3-(1,1-dimethylethyl) 5-ethyl ester Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
94266-03-2 (3,5-Pyridinedicarboxylicacid, 4-ethyl-1,4-dihydro-2,6-dimethyl-, 3-(1,1-dimethylethyl) 5-ethyl ester) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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