3-(4-Fluorobenzoyl)propionic acid - CAS 366-77-8

Catalog:	BB023032
Product Name:	3-(4-Fluorobenzoyl)propionic acid
CAS:	366-77-8
Synonyms:	4-(4-fluorophenyl)-4-oxobutanoic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-(4-fluorophenyl)-4-oxobutanoic acid
Description:	3-(4-Fluorobenzoyl)propionic acid (CAS# 366-77-8) is a useful research chemical.
Molecular Weight:	196.18
Molecular Formula:	C10H9FO3
Canonical SMILES:	C1=CC(=CC=C1C(=O)CCC(=O)O)F
InChI:	InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChI Key:	WUYWHIAAQYQKPP-UHFFFAOYSA-N
Boiling Point:	374.4 °C at 760 mmHg
Melting Point:	100-102 °C
Purity:	95 %
Density:	1.283 g/cm³
Appearance:	Beige granular powder
MDL:	MFCD00002793
LogP:	1.87320

Publication Number	Title	Priority Date
CN-113214195-A	Method for asymmetrically synthesizing dihydrofuran 2- (3H) -ketone compound by nickel catalysis	20210428
CN-111892582-A	Preparation method of benzofuran coumarin compound	20200716
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
CN-109942473-A	A kind of method of catalyst-free synthesis lactam derivatives	20190516
CN-109942473-B	Method for synthesizing lactam derivative without catalyst	20190516

PMID	Publication Date	Title	Journal
20497425	20100901	Structure-activity relationship of butyrate analogues on apoptosis, proliferation and histone deacetylase activity in HCT-116 human colorectal cancer cells	Clinical and experimental pharmacology & physiology
19371012	20090101	[Chemical toxicological analysis of haloperidol metabolite 4-(4-chlorophenyl)-4-hydroxypipiridine in urine by high-performance liquid chromatography]	Sudebno-meditsinskaia ekspertiza
17029599	20061001	Identification of a new functional target of haloperidol metabolite: implications for a receptor-independent role of 3-(4-fluorobenzoyl) propionic acid	Journal of neurochemistry
16034821	20060201	Simultaneous analysis of haloperidol, its three metabolites and two other butyrophenone-type neuroleptics by high performance liquid chromatography with dual ultraviolet detection	Biomedical chromatography : BMC
14618679	20040201	Uptake of 6-[18F]fluoro-L-dopa and [18F]CFT reflect nigral neuronal loss in a rat model of Parkinson's disease	Synapse (New York, N.Y.)

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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
[17746-05-3]
Undecanoyl chloride
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1597-32-6]
2-Amino-6-fluoropyridine
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Other Pyrimidines

[1597-32-6]
2-Amino-6-fluoropyridine
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[77776-68-2]
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[45867-11-6]
2-Amino-5-chloro-4-pyrimidinecarboxylic acid
[1192570-20-9]
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine
[1011349-32-8]
6-Amino-1-isopropyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

GHS Hazard Statement:	H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (13.64%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (13.64%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (11.36%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.05357231
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.05357231
Rotatable Bond Count:	4
Topological Polar Surface Area:	54.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5