Cas no 858116-67-3 (1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 1-[tris(1-methylethyl)silyl]-, phenylmethyl ester)
858116-67-3 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 1-[tris(1-methylethyl)silyl]-, phenylmethyl ester
CAS No:858116-67-3
MF:C24H32N2O2Si
MW:408.608587265015
CID:2110779
PubChem ID:58835322
Update Time:2025-04-21
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 1-[tris(1-methylethyl)silyl]-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 1-[tris(1-methylethyl)silyl]-, phenylmethyl ester
- XUCOZWYFONXKCV-UHFFFAOYSA-N
- Benzyl 1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
- SCHEMBL1364701
- 1-Triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid benzyl ester
- 858116-67-3
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- Inchi: 1S/C24H32N2O2Si/c1-17(2)29(18(3)4,19(5)6)26-13-12-21-14-22(15-25-23(21)26)24(27)28-16-20-10-8-7-9-11-20/h7-15,17-19H,16H2,1-6H3
- InChI Key: XUCOZWYFONXKCV-UHFFFAOYSA-N
- SMILES: [Si](C(C)C)(C(C)C)(C(C)C)N1C=CC2=CC(C(=O)OCC3C=CC=CC=3)=CN=C12
Computed Properties
- Exact Mass: 408.22330480Da
- Monoisotopic Mass: 408.22330480Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 29
- Rotatable Bond Count: 8
- Complexity: 523
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 44.1?2
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 1-[tris(1-methylethyl)silyl]-, phenylmethyl ester Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
858116-67-3 (1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 1-[tris(1-methylethyl)silyl]-, phenylmethyl ester) Related Products
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