Oxalic acid monoethyl ester - CAS 617-37-8
Catalog: |
BB031241 |
Product Name: |
Oxalic acid monoethyl ester |
CAS: |
617-37-8 |
Synonyms: |
2-ethoxy-2-oxoacetic acid |
IUPAC Name: | 2-ethoxy-2-oxoacetic acid |
Description: | Oxalic acid monoethyl ester (CAS# 617-37-8) is a useful synthetic intermediate. It is used to synthesize 2-substituted 3-aryl-4(3H)-quinazolinones with anticonvulsant activities. It is also used to prepare nonbenzamidine tetrazole derivatives as factor Xa inhibitors. |
Molecular Weight: | 118.09 |
Molecular Formula: | C4H6O4 |
Canonical SMILES: | CCOC(=O)C(=O)O |
InChI: | InChI=1S/C4H6O4/c1-2-8-4(7)3(5)6/h2H2,1H3,(H,5,6) |
InChI Key: | JRMAQQQTXDJDNC-UHFFFAOYSA-N |
Boiling Point: | 204.7 °C at 760 mmHg |
Density: | 1.274 g/cm3 |
MDL: | MFCD00785870 |
LogP: | -0.36590 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P261, P264, P280, P285, P304+P341, P305+P351+P338, P337+P313, P342+P311, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113081373-A | Inhalation contamination device for producing intermediate product/byproduct in ethylene glycol synthesis process and application | 20210312 |
CN-112480358-A | Visible light and active oxygen double-response type degradable polyurethane foam material and preparation method thereof | 20201202 |
CN-112125819-A | Preparation method of sanchinin | 20200819 |
JP-2020122020-A | Aqueous antimicrobial film-forming composition for nipple treatment by spray application | 20200519 |
WO-2021185789-A1 | Condensed pyridine derivastives substitued by amide functions as acss2 inhibitors | 20200319 |
PMID | Publication Date | Title | Journal |
20155974 | 20100319 | Practical synthesis of a Cathepsin S inhibitor: route identification, purification strategies, and serendipitous discovery of a crystalline salt form | The Journal of organic chemistry |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.02660867 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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