3',4'-Dimethoxyacetophenone - CAS 1131-62-0
Catalog: |
BB003130 |
Product Name: |
3',4'-Dimethoxyacetophenone |
CAS: |
1131-62-0 |
Synonyms: |
1-(3,4-dimethoxyphenyl)ethanone |
IUPAC Name: | 1-(3,4-dimethoxyphenyl)ethanone |
Description: | 3',4'-Dimethoxyacetophenone (CAS# 1131-62-0) is used in the synthesis of P2X3 receptor antagonists. Also used in the synthesis of anticancer agents that induce apoptosis. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1)OC)OC |
InChI: | InChI=1S/C10H12O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3 |
InChI Key: | IQZLUWLMQNGTIW-UHFFFAOYSA-N |
Boiling Point: | 286-288 °C |
Purity: | 98 % |
Density: | 286 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00008737 |
LogP: | 1.90640 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127079-A1 | Large scale production of catechol-containing polymers | 20191220 |
WO-2021110472-A1 | Process for preparing amines over a copper catalyst | 20191203 |
WO-2021105641-A1 | N2-arylmethyl-4-haloalkyl-pyridazin-3-one cftr modulators for the treatment of cystic fibrosis | 20191128 |
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-2021077194-A1 | Process for the production of antitumour pharmaceutical compositions using push-pull butadienes, compounds and uses thereof | 20191025 |
PMID | Publication Date | Title | Journal |
22356462 | 20120322 | Theoretical and experimental studies on selective oxidation of aromatic ketone by performic acid | The journal of physical chemistry. A |
22553053 | 20120301 | Neuroprotective compounds isolated from Cynanchum paniculatum | Archives of pharmacal research |
22058995 | 20110901 | (E)-1-(3,4-Dimeth-oxy-phen-yl)-3-[4-(methyl-sulfan-yl)phen-yl]prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
21589174 | 20101031 | (E)-3-(2,4-Dimeth-oxy-phen-yl)-1-(3,4-dimeth-oxy-phen-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
20659114 | 20100301 | Select acetophenones modulate flagellar motility in chlamydomonas | Chemical biology & drug design |
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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