2,2,3,3-Tetramethylcyclopropanecarboxylic acid - CAS 15641-58-4
Catalog: |
BB011219 |
Product Name: |
2,2,3,3-Tetramethylcyclopropanecarboxylic acid |
CAS: |
15641-58-4 |
Synonyms: |
2,2,3,3-tetramethylcyclopropane-1-carboxylic acid |
IUPAC Name: | 2,2,3,3-tetramethylcyclopropane-1-carboxylic acid |
Description: | 2,2,3,3-Tetramethylcyclopropanecarboxylic acid (CAS# 15641-58-4) is the cyclic analogue of the antiepileptic drug, Valproic Acid (V094750). 2,2,3,3-Tetramethylcyclopropanecarboxylic Acid is the starting material used in the synthesis of CNS-active compounds. |
Molecular Weight: | 142.20 |
Molecular Formula: | C8H14O2 |
Canonical SMILES: | CC1(C(C1(C)C)C(=O)O)C |
InChI: | InChI=1S/C8H14O2/c1-7(2)5(6(9)10)8(7,3)4/h5H,1-4H3,(H,9,10) |
InChI Key: | SFHVXKNMCGSLAR-UHFFFAOYSA-N |
Boiling Point: | 204.8 °C at 760 mmHg |
Melting Point: | 120-121 °C |
Purity: | > 98.0 % (GC) (T) |
Density: | 0.999 g/cm3 |
Appearance: | White powder or crystals |
MDL: | MFCD00011538 |
LogP: | 1.75320 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
JP-2020105128-A | Ester compound and its use | 20181228 |
JP-2020093453-A | Laminate | 20181212 |
WO-2019154953-A1 | Non-fused thiophene derivatives and their uses | 20180208 |
EP-3749649-A1 | Non-fused thiophene derivatives and their uses | 20180208 |
PMID | Publication Date | Title | Journal |
22003123 | 20120301 | Conserved valproic-acid-induced lipid droplet formation in Dictyostelium and human hepatocytes identifies structurally active compounds | Disease models & mechanisms |
22057163 | 20120201 | Synthesis and anticonvulsant evaluation of dimethylethanolamine analogues of valproic acid and its tetramethylcyclopropyl analogue | Epilepsy research |
19296679 | 20090423 | Alpha-fluoro-2,2,3,3-tetramethylcyclopropanecarboxamide, a novel potent anticonvulsant derivative of a cyclic analogue of valproic acid | Journal of medicinal chemistry |
16055160 | 20051201 | Efficacy of antiepileptic tetramethylcyclopropyl analogues of valproic acid amides in a rat model of neuropathic pain | Neuropharmacology |
15857614 | 20050515 | Histone deacetylases inhibition and tumor cells cytotoxicity by CNS-active VPA constitutional isomers and derivatives | Biochemical pharmacology |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.099379685 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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