Dimethyl acetylsuccinate - CAS 10420-33-4
Catalog: |
BB001353 |
Product Name: |
Dimethyl acetylsuccinate |
CAS: |
10420-33-4 |
Synonyms: |
dimethyl 2-acetylbutanedioate |
IUPAC Name: | dimethyl 2-acetylbutanedioate |
Description: | Dimethyl Acetylsuccinate was used in preparation of β-carbolines via diastereo- and enantioselective Bronsted acid catalyzed N-acyliminium cyclization CAScades of tryptamines and keto acids/esters. |
Molecular Weight: | 188.18 |
Molecular Formula: | C8H12O5 |
Canonical SMILES: | CC(=O)C(CC(=O)OC)C(=O)OC |
InChI: | InChI=1S/C8H12O5/c1-5(9)6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3 |
InChI Key: | XREKLQOUFWBSFH-UHFFFAOYSA-N |
Boiling Point: | 129-134 °C12 mmHg (lit.) |
Melting Point: | 33 °C (lit.) |
Purity: | 95 % |
Density: | 1.14 g/cm3 |
Appearance: | Colorless crystals |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00008448 |
LogP: | -0.07230 |
Publication Number | Title | Priority Date |
CN-112111171-A | C.I. acid yellow 23 dye and clean production process thereof | 20200921 |
EP-3831820-A1 | Compounds and methods for amine oxidase imaging | 20191205 |
WO-2021110834-A2 | Compounds and methods for amine oxidase imaging | 20191205 |
RU-2686489-C1 | Method of producing α-diazocarbonyl compounds in aqueous medium | 20181227 |
WO-2019210103-A2 | Slc26a3 inhibitors and use thereof | 20180425 |
PMID | Publication Date | Title | Journal |
30457847 | 20181218 | Circulating miRNAs Associated with Arsenic Exposure | Environmental science & technology |
28537708 | 20170717 | Nonsynonymous Polymorphisms in the Human AS3MT Arsenic Methylation Gene: Implications for Arsenic Toxicity | Chemical research in toxicology |
27370415 | 20160901 | Association Between Variants in Arsenic (+3 Oxidation State) Methyltranserase (AS3MT) and Urinary Metabolites of Inorganic Arsenic: Role of Exposure Level | Toxicological sciences : an official journal of the Society of Toxicology |
26496421 | 20151116 | Reduction of the Pentavalent Arsenical Dimethylarsinic Acid and the GSTO1 Substrate S-(4-Nitrophenacyl)glutathione by Rat Liver Cytosol: Analyzing the Role of GSTO1 in Arsenic Reduction | Chemical research in toxicology |
25000461 | 20141001 | Associations between arsenic species in exfoliated urothelial cells and prevalence of diabetes among residents of Chihuahua, Mexico | Environmental health perspectives |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.06847348 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.06847348 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 69.7 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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