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
m-Acetylphenol; m-Hydroxyacetophenonel; 3-Acetylphenol; 3-Hydroxyacetophenone; 1-(3-Hydroxyphenyl)ethan-1-one; 3-Hydroxyphenyl Methyl Ketone; 1-Acetyl-3-hydroxybenzene; Etilefrine Hydrochloride Impurity E; Etilefrine Impurity E
IUPAC Name
1-(3-hydroxyphenyl)ethanone
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
Melting Point
90-95 °C
Flash Point
>235.4 °F
Purity
>95%
Density
1.1 g/mL at 25 °C
Solubility
Soluble in Alcohol
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
Store at RT, under inert atmosphere
Refractive Index
n20/D 1.475 (lit.)
LogP
1.59480
Vapor Pressure
0.00748 [mmHg]
Related CAS
77279-58-4 (potassium salt) 3019-87-2 (sodium salt)
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
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 |
