3-(Benzyloxy)cyclobutanone - CAS 30830-27-4
Catalog: |
BB020738 |
Product Name: |
3-(Benzyloxy)cyclobutanone |
CAS: |
30830-27-4 |
Synonyms: |
3-phenylmethoxy-1-cyclobutanone; 3-phenylmethoxycyclobutan-1-one |
IUPAC Name: | 3-phenylmethoxycyclobutan-1-one |
Description: | 3-(Benzyloxy)cyclobutanone (CAS# 30830-27-4) is used as a reactant for the synthesis of cyclobutyl derivatives of 2'-deoxyadenosine 5'-triphosphate as inhibitors of HIV-1 reverse transcriptase. |
Molecular Weight: | 176.21 |
Molecular Formula: | C11H12O2 |
Canonical SMILES: | C1C(CC1=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C11H12O2/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2 |
InChI Key: | GPPSQLLIFNWNSB-UHFFFAOYSA-N |
Boiling Point: | 284.832 °C at 760 mmHg |
Density: | 1.119 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09755991 |
LogP: | 1.93470 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111320535-A | Preparation method of 3- (benzyloxy) -1-cyclobutanone | 20200309 |
WO-2021155316-A1 | Compounds and uses thereof | 20200129 |
WO-2021155320-A1 | Compounds and uses thereof | 20200129 |
WO-2021081272-A1 | Progranulin modulators and methods of using the same | 20191025 |
WO-2021067606-A1 | Brm targeting compounds and associated methods of use | 20191001 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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