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Home > Encyclopedia > 3'-Fluoro-4'-hydroxyacetophenone

3'-Fluoro-4'-hydroxyacetophenone

3'-Fluoro-4'-hydroxyacetophenone structure

3'-Fluoro-4'-hydroxyacetophenone 

structure
  • CAS No:

    403-14-5

  • Formula:

    C8H7FO2

  • Chemical Name:

    3'-Fluoro-4'-hydroxyacetophenone

  • Synonyms:

    BUTTPARK15333-64;3-FLUORO-4-HYDROXYACETOPHENONE;3'-FLUORO-4'-HYDROXYACETOPHENONE;1-(3-FLUORO-4-HYDROXYPHENYL)ETHANONE;3'-Fluoro-4'-hydroxyacetophenone,98+%;1-(3-FLUORO-4-HYDROXYPHENYL)-1-ETHANONE;Ethanone,1-(3-fluoro-4-hydroxyphenyl)-;1-(3-fluoro-4-hydroxyphenyl)ethan-1-one;1-(3-fluoro-4-hydroxyphenyl)-1-ethanone(en);1-(3-Fluoro-4-hydroxyphenyl)ethan-1-one,4-Acetyl-2-fluorophenol

  • Categories:

    Organic Chemistry  >  Coordination Complexes

3'-Fluoro-4'-hydroxyacetophenone Basic Attributes

154.14

154.043015

DTXSID70371991

2914700090

Characteristics

37.3

1.4

1.2±0.1 g/cm3

127-129°C

276.1°C at 760 mmHg

120.8±21.8 °C

1.530

Safety Information

R36/37/38

S26-S36

Xi

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3'-Fluoro-4'-hydroxyacetophenone Use and Manufacturing

A solution of 2-fluorophenyl acetate (3, 1.070 Kg, 6.94 moles) and monochlorobenzene (5.34 Lit.) was heated to 120To a solution of aluminum chloride (2.08 g, 15.57 mmol) in dichlorobenzene was added a solution of 12 (1.2 g, 7.79 mmol) in dichlorobenzene at room temperature. The reaction was warmed to 100 °C and further stirred for 20 h. After the reaction mixture was allowed to cool to room temperature, added with dichloromethane, and poured into 10percent HCl cooled at 0 °C. The aqueous layer was separated and extracted with CHTo a dichloromethane solution (20 mL) of To a solution of aluminum chloride (2.08 g, 15.57 mmol) in dichlorobenzene was added a solution of 12 (1.2 g, 7.79 mmol) in dichlorobenzene at room temperature. The reaction was warmed to 100 C and further stirred for 20 h. After the reaction mixture was allowed to cool to room temperature, added with dichloromethane, and poured into 10% HCl cooled at 0 C. The aqueous layer was separated and extracted with CH2Cl2. The combined organic phases were washed with water, dried over Na2SO4. The filtrate was evaporated under vacuum, and the residue was purified by column chromatography (EtOAc/hexane, 1:4, v/v) to give a white solid (0.75 g, 62.5%). 1H NMR (300 MHz, CDCl3): delta 7.73-7.70 (m, 2H), 7.11-7.05 (m, 1H), 2.58 (s, 3H).Dimethyl sulfate (68 mL, 0.717 mol) was added to a suspension of EXAMPLE 6 Fluorination of 4-Hydroxyacetophenone By the method outlined in Example 1, 4-hydroxyacetophenone was fluorinated to give

Computed Properties

Molecular Weight:154.14
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:154.04300762
Monoisotopic Mass:154.04300762
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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