3-ACETYLPHENOL

Names

[ CAS No. ]:
121-71-1

[ Name ]:
3-ACETYLPHENOL

[Synonym ]:
3-Hydroxyphenyl Methyl Ketone
3-Hydroxyacetophenone
3-HYDROXY-ACETOPHENONE
Ethanone, 1-(3-hydroxyphenyl)-
Ethanone, 1- (3-hydroxyphenyl)-
3’-Hydroxyacetophenone
3-Acetophenol
EINECS 204-494-0
m-Acetylphenol
3-ACETYLPHENOL
3‘-Hydroxyacetophenone
1-(3-Hydroxyphenyl)ethanone
3′-Hydroxyacetophenone
MFCD00002298

Biological Activity

[Description]:

3-Hydroxyacetophenone (m-Hydroxyacetophenone) is the hydroxy-substituted alkyl phenyl ketone that can be used in synthesis of enantiopure (-)-rivastigmine[1][2].

[Related Catalog]:

Research Areas >> Others

Signaling Pathways >> Others >> Others

[References]

[1]. Katharine Moore Tibbetts, et al. Controlling dissociation of alkyl phenyl ketone radical cations in the strong-field regime through hydroxyl substitution position. J Phys Chem A. 2014 Sep 18;118(37):8170-6.

[2]. Kiwon Han, et al. Chemoenzymatic synthesis of rivastigmine via dynamic kinetic resolution as a key step. J Org Chem. 2010 May 7;75(9):3105-8.

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
277.0±23.0 °C at 760 mmHg

[ Melting Point ]:
90-95 °C(lit.)

[ Molecular Formula ]:
C₈H₈O₂

[ Molecular Weight ]:
136.148

[ Flash Point ]:
115.8±15.2 °C

[ Exact Mass ]:
136.052429

[ PSA ]:
37.30000

[ LogP ]:
1.39

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.552

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S22-S24/25-S37/39-S26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ HS Code ]:
2914399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2914501900

[ Summary ]:
2914501900 other ketone-phenols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.

J. Med. Chem. 54 , 211-221, (2011)

Folate analogue inhibitors of Leishmania major pteridine reductase (PTR1) are potential antiparasitic drug candidates for combined therapy with dihydrofolate reductase (DHFR) inhibitors. To identify n...

Synthesis of new UV-B light absorbents: (Acetylphenyl)glycosides with antioxidant activities.

Bioorg. Med. Chem. Lett. 18 , 3582-4, (2008)

m-Acetylphenyl-beta-d-glucopyranosides and m-acetylphenyl-alpha/beta-d-mannopyranosides were synthesized by the Koenigs-Knorr, Mitsunobu, and Helferich reactions as key glycosylation reactions, respec...