3'-Hydroxyacetophenone

Product Information

Molecular Formula:
C8H8O2
Molecular Weight:
136.15
Description
An impurity of Etilefrin. Etilefrin is a sympathomimetic drug that increases the pulse rate, cardiac output, stroke volume, central venous pressure and mean arterial pressure of healthy individuals.
Synonyms
1-(3-hydroxyphenyl)ethanone
IUPAC Name
1-(3-hydroxyphenyl)ethanone
Canonical SMILES
CC(=O)C1=CC(=CC=C1)O
InChI
InChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3
InChI Key
LUJMEECXHPYQOF-UHFFFAOYSA-N
Boiling Point
296 °C (lit.)
Melting Point
94 °C
Flash Point
>235.4 °F
Purity
> 95 %
Density
1.1 g/cm3
Solubility
Inert atmosphere, Room Temperature
Appearance
Liquid
Application
3'-Hydroxyacetophenone is a chemical reagent used in the synthesis and preparation of chalcones and flavonoids as anti-tuberculosis agents, as well as antileishmanial chaocones.
Storage
Inert atmosphere, Room Temperature
Refractive Index
n20/D 1.475 (lit.)
LogP
1.59480
Vapor Pressure
0.00748 [mmHg]

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
1.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
136.052429494 g/mol
Monoisotopic Mass
136.052429494 g/mol
Topological Polar Surface Area
37.3Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
131
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113816844-A Bio-based epoxy resin monomer and preparation method and application thereof 2021-10-12
CN-113925789-A Novel scalp active shampoo powder and production process thereof 2021-09-15
CN-113777204-A Detection method of p-hydroxyacetophenone related substances 2021-07-30
CN-113831296-A 1-phenyl-3- (4- (pyrimidine-5-amino) phenyl) prop-2-ene-1-ketone compound and application thereof 2021-07-27
KR-102308155-B1 Multi-functional cosmetic composition for skin improvement using natural plant and method for producing the same 2021-04-23
CN-113402490-A Preparation method of 1,2,6, 7-tetrahydro-8H-indeno [5,4-b ] furan-8-one 2021-03-29
CN-112892429-A Reversible thermochromic thermal expansion microcapsule and preparation method and application thereof 2021-01-25
CN-114195692-A 3- (2-hydroxy-2-propyl) cumene hydroperoxide and preparation method thereof 2020-09-17
WO-2022054926-A1 Autophagy activating composition containing morpholine derivative as active ingredient 2020-09-11
WO-2022047394-A1 3d printed composites from phase separated materials 2020-08-31

Literatures

PMID Publication Date Title Journal
22553053 2012-03-01 Neuroprotective compounds isolated from Cynanchum paniculatum Archives of pharmacal research
22199668 2011-12-01 1,1'-{[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(3,1-phenyl-ene)}diethanone Acta crystallographica. Section E, Structure reports online
21126022 2011-01-13 Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase Journal of medicinal chemistry
20345141 2010-05-07 Chemoenzymatic synthesis of rivastigmine via dynamic kinetic resolution as a key step The Journal of organic chemistry
21582590 2009-03-28 (E)-3-(4-Hexyl-oxyphen-yl)-1-(3-hydroxy-phen-yl)prop-2-en-one Acta crystallographica. Section E, Structure reports online
17355930 2007-02-01 [Synthesis of S-(+)-rivastigmine hydrogentartrate] Nan fang yi ke da xue xue bao = Journal of Southern Medical University
17117801 2006-11-29 Design and syntheses of novel phthalazin-1(2H)-one derivatives as acetohydroxyacid synthase inhibitors Journal of agricultural and food chemistry
14648406 2003-10-01 Cyclized geranyl stilbenes from the rhizomes of Helminthostachys zeylanica Planta medica
14505498 2003-09-24 Comparative inhibition by substrate analogues 3-methoxy- and 3-hydroxydesaminokynurenine and an improved 3 step purification of recombinant human kynureninase BMC biochemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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