Methylglyoxal 1,1-dimethyl acetal - CAS 6342-56-9
Catalog: |
BB032137 |
Product Name: |
Methylglyoxal 1,1-dimethyl acetal |
CAS: |
6342-56-9 |
Synonyms: |
1,1-dimethoxypropan-2-one |
IUPAC Name: | 1,1-dimethoxypropan-2-one |
Description: | Methylglyoxal 1,1-dimethyl acetal (CAS# 6342-56-9) is used in the preparation of MCL1 inhibitors S63845 which is tolerable and effective in diverse cancer models. Also, acts as a synthetic reagent for the preparation of 8novel 2,4-disubstituted pyrimidines as potent, selective, and cell-permeable inhibitors of neuronal nitric oxide synthase. Selective inhibition of neuronal nitric oxide synthase is an important therapeutic approach to target neurodegenerative disorders. |
Molecular Weight: | 118.13 |
Molecular Formula: | C5H10O3 |
Canonical SMILES: | CC(=O)C(OC)OC |
InChI: | InChI=1S/C5H10O3/c1-4(6)5(7-2)8-3/h5H,1-3H3 |
InChI Key: | ULVSHNOGEVXRDR-UHFFFAOYSA-N |
Boiling Point: | 143-147 °C |
Purity: | 98 % |
Density: | 0.976 g/cm3 |
Appearance: | Clear colorless to yellow liquid |
MDL: | MFCD00008758 |
LogP: | 0.19430 |
Vapor Pressure: | 8.48 [mmHg] |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113336647-A | Preparation method of 4-acetoxyl-2-methyl-2-butenal | 20210621 |
CN-112028828-A | Preparation method of polysubstituted bromomethylbenzene nitrogen-containing heterocyclic compound | 20200915 |
CN-112121463-A | Preparation method of polysubstituted benzo nitrogen-containing heterocyclic methylamine | 20200915 |
CN-111675613-A | Preparation method of 4-acetoxyl-2-methyl-2-butenal | 20200529 |
US-2021318274-A1 | Methods for evaluating liver function | 20200409 |
PMID | Publication Date | Title | Journal |
16496973 | 20060303 | Stereocontrolled synthesis and cycloaddition of 1,2,4-trioxygenated 1,3-dienes | The Journal of organic chemistry |
Complexity: | 75.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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