Cas no 611238-75-6 (ethyl 1-(2-tert-butoxy-2-oxoethyl)-1H-pyrazole-4-carboxylate)
611238-75-6 structure
Product Name:ethyl 1-(2-tert-butoxy-2-oxoethyl)-1H-pyrazole-4-carboxylate
CAS No:611238-75-6
MF:C12H18N2O4
MW:254.282323360443
CID:2835123
PubChem ID:59557976
Update Time:2025-04-21
ethyl 1-(2-tert-butoxy-2-oxoethyl)-1H-pyrazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 611238-75-6
- DB-194739
- KFWQJJPKOKXUDQ-UHFFFAOYSA-N
- DTXSID50732384
- ethyl 1-(2-tert-butoxy-2-oxoethyl)-1H-pyrazole-4-carboxylate
- 1H-Pyrazole-1-acetic acid, 4-(ethoxycarbonyl)-, 1,1-dimethylethyl ester
- 4-(Ethoxycarbonyl)-1h-pyrazole-1-acetic acid 1,1-dimethylethyl ester
- SCHEMBL1198164
-
- Inchi： 1S/C12H18N2O4/c1-5-17-11(16)9-6-13-14(7-9)8-10(15)18-12(2,3)4/h6-7H,5,8H2,1-4H3
- InChI Key： KFWQJJPKOKXUDQ-UHFFFAOYSA-N
- SMILES： O(C(CN1C=C(C(=O)OCC)C=N1)=O)C(C)(C)C
Computed Properties
- Exact Mass: 254.12665706Da
- Monoisotopic Mass: 254.12665706Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 312
- 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
- XLogP3: 1.5
- Topological Polar Surface Area: 70.4?2
ethyl 1-(2-tert-butoxy-2-oxoethyl)-1H-pyrazole-4-carboxylate Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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