Ethyl 5-(Benzyloxy)-3-oxopentanoate - CAS 64714-79-0

Catalog:	BB032544
Product Name:	Ethyl 5-(Benzyloxy)-3-oxopentanoate
CAS:	64714-79-0
Synonyms:	3-oxo-5-phenylmethoxypentanoic acid ethyl ester; ethyl 3-oxo-5-phenylmethoxypentanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-oxo-5-phenylmethoxypentanoate
Description:	Ethyl 5-(Benzyloxy)-3-oxopentanoate (CAS# 64714-79-0) is derived from Ethyl Acetoacetate (E899545), which is a chemical intermediate used in the production of various analgesics, antibiotics and antimalarial agents.
Molecular Weight:	250.29
Molecular Formula:	C14H18O4
Canonical SMILES:	CCOC(=O)CC(=O)CCOCC1=CC=CC=C1
InChI:	InChI=1S/C14H18O4/c1-2-18-14(16)10-13(15)8-9-17-11-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChI Key:	XXYYVXDQSFMEPX-UHFFFAOYSA-N
LogP:	2.11560

Publication Number	Title	Priority Date
WO-2020123855-A1	Inhibitor compounds for male contraception	20181212
WO-2020119590-A1	3-cyanopyridine compound, pharmaceutical composition comprising same, preparation method therefor, and uses thereof.	20181211
CN-111303146-A	3-cyanopyridine compound, pharmaceutical composition containing same, preparation method and application thereof	20181211
WO-2017133670-A1	Pyridine and pyrimidine derivatives and their use in treatment, amelioration or prevention of influenza	20160205
EP-3299371-A1	Hydroxyl purine compounds and use thereof	20150520

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.12050905
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	250.12050905
Rotatable Bond Count:	9
Topological Polar Surface Area:	52.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6