Hydroxybutenolide - CAS 931-23-7
Catalog: |
BB064036 |
Product Name: |
Hydroxybutenolide |
CAS: |
931-23-7 |
Synonyms: |
5-Hydroxy-3-methyl-2(5H)-furanone; 2,5-Dihydro-5-hydroxy-3-methyl-2-oxofuran; 4-Hydroxy-2-methylbut-2-en-4-olide; 5-Hydroxy-3-methyl-2-butenolide; 4,4-Dihydroxy-2-methyl γ-Lactone Crotonic Acid |
IUPAC Name: | 2-hydroxy-4-methyl-2H-furan-5-one |
Description: | Hydroxybutenolide can be used as reactant/reagent for synthetic preparation for enantioselective preparation of hydroxy-GR24 stereoisomers via contra-biomimetic nucleophilic cyclization. |
Molecular Weight: | 114.1 |
Molecular Formula: | C5H6O3 |
Canonical SMILES: | CC1=CC(OC1=O)O |
InChI: | InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,4,6H,1H3 |
InChI Key: | HQIZYPQNJWENRT-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C Freezer |
References: | Morris, J. C., and McErlean, C. S. P. Org. Biomol. Chem., 14, 1236-1238 (2016). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.031694049 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.031694049 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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