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Ethyl 4-(4-benzyloxyphenyl)-2,4-dioxobutanoate

Ethyl 4-(4-benzyloxyphenyl)-2,4-dioxobutanoate - CAS 57696-12-5

Catalog:	BB029794
Product Name:	Ethyl 4-(4-benzyloxyphenyl)-2,4-dioxobutanoate
CAS:	57696-12-5
Synonyms:	ethyl 2,4-dioxo-4-(4-phenylmethoxyphenyl)butanoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2,4-dioxo-4-(4-phenylmethoxyphenyl)butanoate
Description:	Ethyl 4-(4-benzyloxyphenyl)-2,4-dioxobutanoate (CAS# 57696-12-5 ) is a useful research chemical.
Molecular Weight:	326.34
Molecular Formula:	C19H18O5
Canonical SMILES:	CCOC(=O)C(=O)CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2
InChI:	InChI=1S/C19H18O5/c1-2-23-19(22)18(21)12-17(20)15-8-10-16(11-9-15)24-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3
InChI Key:	BTUJZIGPAGODTR-UHFFFAOYSA-N
LogP:	2.97060

Publication Number	Title	Priority Date
AU-2009225441-A1	Novel piperidine derivatives as inhibitors of stearoyl-CoA desaturase	20080320
AU-2009225441-B2	Novel piperidine derivatives as inhibitors of stearoyl-CoA desaturase	20080320
EP-2268143-A2	Novel piperidine derivatives as inhibitors of stearoyl-coa desaturase	20080320
JP-2011518774-A	Novel piperidine derivatives as inhibitors of stearoyl-CoA desaturase	20080320
KR-20100134680-A	Novel Piperidine Derivatives as Inhibitors of Stearoyl-COA Desaturase	20080320

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	431
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	326.11542367
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	326.11542367
Rotatable Bond Count:	9
Topological Polar Surface Area:	69.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3