3,4-Dimethoxy-3-cyclobutene-1,2-dione - CAS 5222-73-1
Catalog: |
BB027752 |
Product Name: |
3,4-Dimethoxy-3-cyclobutene-1,2-dione |
CAS: |
5222-73-1 |
Synonyms: |
3,4-dimethoxycyclobut-3-ene-1,2-dione |
IUPAC Name: | 3,4-dimethoxycyclobut-3-ene-1,2-dione |
Description: | 3,4-Dimethoxy-3-cyclobutene-1,2-dione acts as a reagent for the synthesis and mechanism of action of squaramides with cytotoxic activity against human gastric carcinoma cells HGC-27. |
Molecular Weight: | 142.11 |
Molecular Formula: | C6H6O4 |
Canonical SMILES: | COC1=C(C(=O)C1=O)OC |
InChI: | InChI=1S/C6H6O4/c1-9-5-3(7)4(8)6(5)10-2/h1-2H3 |
InChI Key: | SZBNZTGCAMLMJY-UHFFFAOYSA-N |
Boiling Point: | 286.1 °C at 760 mmHg |
Density: | 1.3 g/cm3 |
MDL: | MFCD00101316 |
LogP: | -0.35740 |
GHS Hazard Statement: | H315 (13.64%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P272, P280, P285, P302+P352, P304+P341, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111551709-A | Enzyme-labeled secondary antibody compound and preparation method thereof | 20200513 |
CN-111551709-B | Enzyme-labeled secondary antibody compound and preparation method thereof | 20200513 |
CN-111349014-A | Preparation method of methyl squarate | 20200330 |
CN-111229312-A | Solvent-free catalyst and preparation method and application thereof | 20200313 |
KR-20210103973-A | Protein Kinase Degradation Inducing Compounds, and Use thereof | 20200214 |
PMID | Publication Date | Title | Journal |
20978608 | 20100726 | Synthesis of 6-PEtN-α-D-GalpNAc-(1->6)-β-D-Galp-(1->4)-β-D-GlcpNAc-(1->3)-β-D-Galp-(1->4)-β-D-Glcp, a Haemophilus influenzae lipopolysacharide structure, and biotin and protein conjugates thereof | Beilstein journal of organic chemistry |
18048016 | 20080204 | Preparation of glycoconjugates by dialkyl squarate chemistry revisited | Carbohydrate research |
17154219 | 20070102 | Bifunctional ligands that target cells displaying the alpha v beta3 integrin | Chembiochem : a European journal of chemical biology |
16986836 | 20060928 | Molecular structure, infrared spectrum, and photochemistry of squaric acid dimethyl ester in solid argon | The journal of physical chemistry. A |
17136889 | 20060901 | A new series of glycopeptide antibiotics incorporating a squaric acid moiety. Synthesis, structural and antibacterial studies | The Journal of antibiotics |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.02660867 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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