2,3'-Dichloroacetophenone - CAS 21886-56-6
Catalog: |
BB017187 |
Product Name: |
2,3'-Dichloroacetophenone |
CAS: |
21886-56-6 |
Synonyms: |
2-chloro-1-(3-chlorophenyl)ethanone; 2-chloro-1-(3-chlorophenyl)ethanone |
IUPAC Name: | 2-chloro-1-(3-chlorophenyl)ethanone |
Description: | 2,3'-Dichloroacetophenone (CAS# 21886-56-6) is used as a reagent in the synthesis of benzothiazepinones (BTZs) as novel non-ATP competitive inhibitors of glycogen synthase kinase-3β (GSK-3β). Also used as a reagent in the synthesis of benzimidazolyl pyridinones as insulin-like growth factor I (IGF-1R) kinase inhibitors. |
Molecular Weight: | 189.04 |
Molecular Formula: | C8H6Cl2O |
Canonical SMILES: | C1=CC(=CC(=C1)Cl)C(=O)CCl |
InChI: | InChI=1S/C8H6Cl2O/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2 |
InChI Key: | AVUVSYIYUADCKE-UHFFFAOYSA-N |
Boiling Point: | 283.7 °C at 760 mmHg |
Density: | 1.31 g/cm3 |
LogP: | 2.76150 |
Publication Number | Title | Priority Date |
CN-106905256-A | Benzo five-membered heterocyclic IDO1 inhibitor, its preparation method and application | 20170306 |
CN-107794270-B | Ketone reductase DNA molecule, recombinant vector, strain and application | 20160831 |
CN-107779459-B | Glucose dehydrogenase DNA molecule, vector, strain and application | 20160831 |
CN-104450801-B | A kind of two enzymes method asymmetry prepares the application of (R) 2 chlorine 1 (3 chlorphenyl) ethanol | 20141210 |
EP-3227291-A1 | N-substituted beta-carbolinium compounds as potent p-glycoprotein inducers | 20141021 |
PMID | Publication Date | Title | Journal |
17912510 | 20071201 | Engineering the phenylacetaldehyde reductase mutant for improved substrate conversion in the presence of concentrated 2-propanol | Applied microbiology and biotechnology |
11985623 | 20020501 | Chiral alcohol production by NADH-dependent phenylacetaldehyde reductase coupled with in situ regeneration of NADH | European journal of biochemistry |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.9795702 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.9795702 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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