3',4'-Dimethoxyacetophenone - CAS 1131-62-0

Catalog:	BB003130
Product Name:	3',4'-Dimethoxyacetophenone
CAS:	1131-62-0
Synonyms:	1-(3,4-dimethoxyphenyl)ethanone

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

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

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

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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

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