Diethyl 3-(Benzyloxy)cyclobutane-1,1-dicarboxylate - CAS 54166-15-3
Catalog: |
BB028536 |
Product Name: |
Diethyl 3-(Benzyloxy)cyclobutane-1,1-dicarboxylate |
CAS: |
54166-15-3 |
Synonyms: |
3-phenylmethoxycyclobutane-1,1-dicarboxylic acid diethyl ester; diethyl 3-phenylmethoxycyclobutane-1,1-dicarboxylate |
IUPAC Name: | diethyl 3-phenylmethoxycyclobutane-1,1-dicarboxylate |
Description: | Diethyl 3-(Benzyloxy)cyclobutane-1,1-dicarboxylate (CAS# 54166-15-3) is a useful research chemical. |
Molecular Weight: | 306.35 |
Molecular Formula: | C17H22O5 |
Canonical SMILES: | CCOC(=O)C1(CC(C1)OCC2=CC=CC=C2)C(=O)OCC |
InChI: | InChI=1S/C17H22O5/c1-3-20-15(18)17(16(19)21-4-2)10-14(11-17)22-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3 |
InChI Key: | OSQKNXLJUGYQHW-UHFFFAOYSA-N |
Boiling Point: | 368.3 °C at 760 mmHg |
Density: | 1.15 g/cm3 |
MDL: | MFCD07700259 |
LogP: | 2.47820 |
Publication Number | Title | Priority Date |
WO-2021018207-A1 | Compounds for treating and/or preventing hepatitis b virus infections, preparation method therefor and use thereof | 20190730 |
AU-2017290755-A1 | Diazepinone derivatives and their use in the treatment of hepatitis B infections | 20160629 |
CA-3029566-A1 | Diazepinone derivatives and their use in the treatment of hepatitis b infections | 20160629 |
JP-2019524684-A | Diazepinone derivatives and their use in the treatment of hepatitis B infection | 20160629 |
TW-201808952-A | Diazepine derivatives and methods for treating hepatitis B infection | 20160629 |
Complexity: | 361 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 306.1467238 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 306.1467238 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 61.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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