Diethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate - CAS 376395-32-3
Catalog: |
BB023367 |
Product Name: |
Diethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate |
CAS: |
376395-32-3 |
Synonyms: |
diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate |
IUPAC Name: | diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate |
Description: | Diethyl 1-benzyl-3,4-dihydroxy-1H-pyrrole-2,5-dicarboxylate (CAS# 376395-32-3 ) is a useful research chemical. |
Molecular Weight: | 333.34 |
Molecular Formula: | C17H19NO6 |
Canonical SMILES: | CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)C(=O)OCC)O)O |
InChI: | InChI=1S/C17H19NO6/c1-3-23-16(21)12-14(19)15(20)13(17(22)24-4-2)18(12)10-11-8-6-5-7-9-11/h5-9,19-20H,3-4,10H2,1-2H3 |
InChI Key: | AXYCCUUFBQELMR-UHFFFAOYSA-N |
Boiling Point: | 481.522 °C at 760 mmHg |
Melting Point: | 143-146 °C(lit.) |
Purity: | 95 % |
Density: | 1.28 g/cm3 |
MDL: | MFCD05664246 |
LogP: | 2.30100 |
Publication Number | Title | Priority Date |
WO-2009026248-A2 | Hydrazide, amide, phthalimide and phthalhydrazide analogs as inhibitors of retroviral integrase | 20070817 |
US-2007298219-A1 | Optical Information Recording Medium and Information Recording Method | 20050316 |
EP-1461341-A1 | Process for preparing a heteroaromatic compound substituted with one or more ether groups | 20011228 |
EP-1461341-B1 | Process for preparing a heteroaromatic compound substituted with one or more ether groups | 20011228 |
TW-200306979-A | Process for preparing a heteroaromatic compound having a heteroaromatic nucleus substituted with one or more ether groups | 20011228 |
Complexity: | 407 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 333.12123733 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 333.12123733 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 98 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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Pyrroles
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