2-tert-Butyl 4-Ethyl 3,5-Dimethylpyrrole-2,4-dicarboxylate - CAS 86770-31-2
Catalog: |
BB038061 |
Product Name: |
2-tert-Butyl 4-Ethyl 3,5-Dimethylpyrrole-2,4-dicarboxylate |
CAS: |
86770-31-2 |
Synonyms: |
3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester; 2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate |
IUPAC Name: | 2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate |
Description: | 2-tert-Butyl 4-Ethyl 3,5-Dimethylpyrrole-2,4-dicarboxylate (CAS# 86770-31-2) is a useful research chemical. |
Molecular Weight: | 267.32 |
Molecular Formula: | C14H21NO4 |
Canonical SMILES: | CCOC(=O)C1=C(NC(=C1C)C(=O)OC(C)(C)C)C |
InChI: | InChI=1S/C14H21NO4/c1-7-18-12(16)10-8(2)11(15-9(10)3)13(17)19-14(4,5)6/h15H,7H2,1-6H3 |
InChI Key: | CJXJFSNESZDOGK-UHFFFAOYSA-N |
Boiling Point: | 386.8 °C at 760 mmHg |
Density: | 1.103 g/cm3 |
MDL: | MFCD02179394 |
LogP: | 2.76350 |
Publication Number | Title | Priority Date |
CN-112778187-A | Synthesis method of Hainatinib intermediate and Hainatinib intermediate obtained by synthesis method | 20210106 |
CN-109320499-B | Pyrrole-3-formamide compound and preparation method and application thereof | 20181114 |
TW-201927785-A | Compounds for treating or preventing cancer | 20171227 |
TW-I699366-B | Compounds for treating or preventing cancer | 20171227 |
WO-2012119506-A1 | Indolone derivatives, pharmaceutical compositions thereof, and preparation methods and applications thereof | 20110310 |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.14705815 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.14705815 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 68.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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