3,4-Diisopropoxy-3-cyclobutene-1,2-dione - CAS 61699-62-5
Catalog: |
BB031228 |
Product Name: |
3,4-Diisopropoxy-3-cyclobutene-1,2-dione |
CAS: |
61699-62-5 |
Synonyms: |
3,4-di(propan-2-yloxy)cyclobut-3-ene-1,2-dione |
IUPAC Name: | 3,4-di(propan-2-yloxy)cyclobut-3-ene-1,2-dione |
Description: | 3,4-Diisopropoxy-3-cyclobutene-1,2-dione (CAS# 61699-62-5) is a useful research chemical. |
Molecular Weight: | 198.22 |
Molecular Formula: | C10H14O4 |
Canonical SMILES: | CC(C)OC1=C(C(=O)C1=O)OC(C)C |
InChI: | InChI=1S/C10H14O4/c1-5(2)13-9-7(11)8(12)10(9)14-6(3)4/h5-6H,1-4H3 |
InChI Key: | KCZPGGVPQXQGEJ-UHFFFAOYSA-N |
Boiling Point: | 110 °C (0.04 torr) |
Purity: | 99 % |
Density: | 1.12 g/cm3 |
MDL: | MFCD00075125 |
LogP: | 1.19980 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021021535-A1 | Glucose-responsive insulin conjugates | 20190730 |
CN-109053531-B | Asymmetric squarylium cyanine material and preparation method and application thereof | 20180814 |
WO-2019210411-A1 | Squaric acid-based polymers, their manufacturing processes and their uses | 20180430 |
CN-112041370-A | Squarylium-based polymers, method for their production and their use | 20180430 |
EP-3788093-A1 | Squaric acid-based polymers, their manufacturing processes and their uses | 20180430 |
PMID | Publication Date | Title | Journal |
12465934 | 20021212 | A highly abbreviated synthesis of pentalenene by means of the squarate ester cascade | Organic letters |
12149025 | 20020807 | Applications of the squarate ester cascade to the expeditious synthesis of hypnophilin, coriolin, and ceratopicanol | Journal of the American Chemical Society |
11871905 | 20020308 | Squaric acid ester-based total synthesis of echinochrome A | The Journal of organic chemistry |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.08920892 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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