2',5'-Dimethoxyacetophenone - CAS 1201-38-3
Catalog: |
BB004725 |
Product Name: |
2',5'-Dimethoxyacetophenone |
CAS: |
1201-38-3 |
Synonyms: |
1-(2,5-dimethoxyphenyl)ethanone |
IUPAC Name: | 1-(2,5-dimethoxyphenyl)ethanone |
Description: | 2',5'-Dimethoxyacetophenone (CAS# 1201-38-3) is a useful building block which has been used in the preparation of pyridine and thieno[2,3-b] pyridine derivatives as anticancer PIM-1 kinase inhibitors, and in the synthesis of anti-cancer and apoptosis-inducing agents. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CC(=O)C1=C(C=CC(=C1)OC)OC |
InChI: | InChI=1S/C10H12O3/c1-7(11)9-6-8(12-2)4-5-10(9)13-3/h4-6H,1-3H3 |
InChI Key: | FAXUIYJKGGUCBO-UHFFFAOYSA-N |
Boiling Point: | 155-158 °C (11 mmHg) |
Purity: | 98 % |
Density: | 1.139 g/cm3 |
Appearance: | Clear yellow to green-yellow liquid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00008728 |
LogP: | 1.90640 |
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 |
CN-111620764-A | Selective ether bond breaking method of aryl alkyl ether | 20200324 |
WO-2021110472-A1 | Process for preparing amines over a copper catalyst | 20191203 |
CN-111018708-A | Synthesis method of difluoroalkyl substituted aromatic ketone compound under photocatalysis | 20191122 |
WO-2021085321-A1 | Resin composition, resin sheet, cured film, method for manufacturing cured film, semiconductor device, organic el display device, and display device | 20191029 |
WO-2020139001-A1 | Pharmaceutical composition for promotion of intracellular atp production | 20181227 |
PMID | Publication Date | Title | Journal |
22870805 | 20120601 | Antitumor activity of novel pyridine, thiophene and thiazole derivatives | Archives of pharmacal research |
17064051 | 20061027 | Total synthesis of the hydroxyketone kurasoin A using asymmetric phase-transfer alkylation | The Journal of organic chemistry |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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