mono-Ethyl fumarate - CAS 2459-05-4
Catalog: |
BB018537 |
Product Name: |
mono-Ethyl fumarate |
CAS: |
2459-05-4 |
Synonyms: |
(E)-4-ethoxy-4-oxobut-2-enoic acid |
Application: |
Fumaric Acid Monoethyl Ester (Quetiapine EP Impurity R) is an anti-psoriatic fumaric acid ester. Fumaric Acid Monoethyl Ester inhibited thymidine-14C incorporation into DNA by cultured human lymphocytes. Fumaric Acid Monoethyl Ester has been shown to evoke transient increase in intracellular free calcium concentration and inhibit proliferation of human keratinocytes. |
IUPAC Name: | (E)-4-ethoxy-4-oxobut-2-enoic acid |
Description: | Monoethyl Fumarate is an anti-psoriatic fumaric acid ester. It was used in the preparation of photo-crosslinkable macromers. It was also used to synthesize Ugi/intramolecular Diels-Alder (IMDA) cycloaddition products. |
Molecular Weight: | 144.13 |
Molecular Formula: | C6H8O4 |
Canonical SMILES: | CCOC(=O)C=CC(=O)O |
InChI: | InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3+ |
InChI Key: | XLYMOEINVGRTEX-ONEGZZNKSA-N |
Boiling Point: | 147 ℃ (16 mmHg) |
Melting Point: | 68-70 ℃ |
Purity: | > 95 % |
Density: | 1.208 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00002699 |
LogP: | 0.19030 |
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-2021127093-A1 | Golf ball | 20191220 |
WO-2021120106-A1 | Alkali-soluble resin, photosensitive resin composition, photosensitive element, method of forming resist pattern, and method of forming wiring pattern | 20191219 |
WO-2021124950-A1 | Method for producing ionomer resin | 20191219 |
WO-2021124951-A1 | Ionomer resin, resin sheet, and laminated glass | 20191219 |
WO-2021125004-A1 | Resin composition for solar cell sealing material, solar cell sealing material, method for producing solar cell sealing material, and solar cell module | 20191216 |
PMID | Publication Date | Title | Journal |
22705046 | 20121001 | Photo-crosslinked networks prepared from fumaric acid monoethyl ester-functionalized poly(D,L-lactic acid) oligomers and N-vinyl-2-pyrrolidone for the controlled and sustained release of proteins | Acta biomaterialia |
22416030 | 20120501 | Photo-crosslinked biodegradable hydrogels prepared from fumaric acid monoethyl ester-functionalized oligomers for protein delivery | Macromolecular bioscience |
22005738 | 20120401 | Characterization of a thermostable methylaspartate ammonia lyase from Carboxydothermus hydrogenoformans | Applied microbiology and biotechnology |
21167710 | 20110501 | Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A) | Bioorganic & medicinal chemistry letters |
21422332 | 20110301 | Treatment of recurrent aphthous stomatitis with fumaric acid esters | Archives of dermatology |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 144.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.04225873 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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