cis-1,2-Cyclopentanedicarboxylic anhydride - CAS 35878-28-5
Catalog: |
BB022786 |
Product Name: |
cis-1,2-Cyclopentanedicarboxylic anhydride |
CAS: |
35878-28-5 |
Synonyms: |
(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione |
IUPAC Name: | (3aS,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione |
Description: | cis-1,2-Cyclopentanedicarboxylic Anhydride functions as a reagent in the enantioselective synthesis of disubstituted proline derivatives and its application in synthesis of hepatitis C virus protease inhibitor telaprevir, Nrf2-Keap1 complex inhibitors preparation, binding mode and structural-activity relationship. |
Molecular Weight: | 140.14 |
Molecular Formula: | C7H8O3 |
Canonical SMILES: | C1CC2C(C1)C(=O)OC2=O |
InChI: | InChI=1S/C7H8O3/c8-6-4-2-1-3-5(4)7(9)10-6/h4-5H,1-3H2/t4-,5+ |
InChI Key: | NMSRALOLNIBERV-SYDPRGILSA-N |
Boiling Point: | 289.2 ℃ at 760 mmHg |
Purity: | > 98 % |
Density: | 1.309 g/cm3 |
Appearance: | White powder |
LogP: | 0.48610 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, and P362 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020084300-A1 | Therapeutic compounds | 20181022 |
EP-3870578-A1 | Therapeutic compounds | 20181022 |
WO-2019183577-A1 | Modulators of g-protein coupled receptors | 20180323 |
US-2019345126-A1 | Novel brominated furanone derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient | 20160613 |
WO-2017217741-A1 | Novel brominated furanone derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient | 20160613 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.047344113 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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