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1023-17-2

Basic Information
CAS No.: 1023-17-2
Name: 4'-METHOXY-2-PHENYLACETOPHENONE
Article Data: 207
Molecular Structure:
Molecular Structure of 1023-17-2 (4'-METHOXY-2-PHENYLACETOPHENONE)
Formula: C15H14O2
Molecular Weight: 226.275
Synonyms: Acetophenone,4'-methoxy-2-phenyl- (6CI,7CI,8CI);Acetophenone, p-methoxy-a-phenyl- (3CI);2-Phenyl-p-methoxyacetophenone;4-Methoxy-a-phenylacetophenone;4-Methoxydeoxybenzoin;4-Methoxydesoxybenzoin;4-Methoxyphenyl benzyl ketone;4'-Methoxy-2-phenylacetophenone;Benzyl 4-methoxyphenyl ketone;Benzylp-methoxyphenyl ketone;NSC 26658;p-Anisyl benzyl ketone;a-Phenyl-4'-methoxyacetophenone;4-Methoxy phenyl Acetofenone;
Density: 1.1 g/cm3
Melting Point: 77-78 °C
Boiling Point: 380 °C at 760 mmHg
Flash Point: 173.2 °C
PSA: 26.30000
LogP: 3.12060
Synthetic route
3319-15-1

rac-1-(4-methoxyphenyl)-ethanol

108-90-7

chlorobenzene

1023-17-2

4-methoxyphenyl benzyl ketone

Conditions
ConditionsYield
Stage #1: rac-1-(4-methoxyphenyl)-ethanol With allylchloro[1,3-bis(2,6-di-isopropylphenyl)imidazol-2-ylidine]palladium(II); para-chlorotoluene; potassium tert-butylate In toluene at 40℃; for 3h; Inert atmosphere;
Stage #2: chlorobenzene In toluene at 80℃; for 4h; Inert atmosphere;
99%
103-82-2

phenylacetic acid

100-66-3

methoxybenzene

1023-17-2

4-methoxyphenyl benzyl ketone

Conditions
ConditionsYield
With trifluoromethylsulfonic anhydride In dichloromethane Friedel-Crafts Acylation; Cooling with ice;98%
With aluminium dodecatungsten phosphate; trifluoroacetic anhydride at 20℃; for 2h;94%
With pyrographite; toluene-4-sulfonic acid at 90℃; for 3.5h; Friedel-Crafts reaction;92%
100-66-3

methoxybenzene

103-80-0

phenylacetyl chloride

1023-17-2

4-methoxyphenyl benzyl ketone

Conditions
ConditionsYield
With zinc(II) oxide at 20℃; for 0.0833333h; Friedel-Crafts acylation;98%
With zinc oxide nanoparticles supported on polyaniline at 20℃; for 0.166667h; Friedel Crafts acylation; Neat (no solvent);96%
With iron(III) oxide at 20℃; for 0.166667h; Friedel Crafts acylation; regioselective reaction;91%
908094-04-2

phenyldiazomethane

123-11-5

4-methoxy-benzaldehyde

1023-17-2

4-methoxyphenyl benzyl ketone

Conditions
ConditionsYield
With scandium tris(trifluoromethanesulfonate) In toluene at -78℃; for 0.166667h; Inert atmosphere;97%
cyclopentadienyldicarbonyl(tetrahydrofuran)iron(II) tetrafluoroborate In dichloromethane at 20℃; for 12.5h; insertion;55%
With lithium bromide In diethyl ether at -5 - 0℃; protected from light;90 % Spectr.
7380-78-1

4-(phenylethynyl)anisole

1023-17-2

4-methoxyphenyl benzyl ketone

Conditions
ConditionsYield
With toluene-4-sulfonic acid In ethanol at 120℃; for 0.5h; microwave irradiation;96%
With toluene-4-sulfonic acid In ethanol at 78℃; for 72h;80%
With silver hexafluoroantimonate; chloro(1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene)gold(I) In 1,4-dioxane; water at 80℃; for 16h;74%
With 1,10-Phenanthroline; copper(II) choride dihydrate; silver trifluoromethanesulfonate; aniline; 1,2-bis-(diphenylphosphino)ethane; palladium dichloride In 1,4-dioxane; water at 100℃; for 24h;22%
With hydrogenchloride; water; cetyltrimethylammonim bromide In isopropyl alcohol at 140℃; for 10h;
5720-07-0

4-methoxyphenylboronic acid

140-29-4

phenylacetonitrile

1023-17-2

4-methoxyphenyl benzyl ketone

Conditions
ConditionsYield
With [2,2]bipyridinyl; palladium diacetate; trifluoroacetic acid In tetrahydrofuran; water at 80℃; for 36h; Inert atmosphere; Schlenk technique;96%
With ammonium chloride; bipyridine-cyclopalladated ferrocenylimine complex In water at 100℃; for 24h;92%
[Pd(μ-OH)(2,2'-bipyridine)]2(OSO2CF3)2 In nitromethane for 24h; Heating;87%

α-benzyl-4,4'-dimethoxybenzoin

1023-17-2

4-methoxyphenyl benzyl ketone

Conditions
ConditionsYield
With potassium cyanide In N,N-dimethyl-formamide at 80℃; for 1h;95%
1401229-25-1

1-(1-(4-methoxyphenyl)-2-phenylethoxy)-2,2,6,6-tetramethylpiperidine

1023-17-2

4-methoxyphenyl benzyl ketone

Conditions
ConditionsYield
With 3-chloro-benzenecarboperoxoic acid In dichloromethane95%
121-98-2

methyl 4-methoxybenzoate

(phenylmethylene)bis(4,4,5,5‐tetramethyl‐1,3,2‐dioxaborolane)

1023-17-2

4-methoxyphenyl benzyl ketone

Conditions
ConditionsYield
With lithium tert-butoxide In tetrahydrofuran at 23℃; for 3h; Glovebox;95%
5720-07-0

4-methoxyphenylboronic acid

103-80-0

phenylacetyl chloride

1023-17-2

4-methoxyphenyl benzyl ketone

Conditions
ConditionsYield
With (BeDABCO)2Pd2Cl6; potassium carbonate In toluene at 20℃; for 0.583333h; Suzuki Coupling;91%
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  • 4'-METHOXY-2-PHENYLACETOPHENONE CAS No.1023-17-2

  • Casno:

    1023-17-2

    4'-METHOXY-2-PHENYLACETOPHENONE CAS No.1023-17-2

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    [Chinese] 4 '- methoxy - 2 - phenyl acetophenone "English name" 4 '- METHOXY - 2 - PHENYLACETOPHENONE 4 - METHOXYPHENYLBENZYL KETONE 4 - METHOXYPHENYL BENZYL KETONE DEOXY - 4 - METHOXYBENZOIN NSC26658 4 

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Specification

The 1-(4-Methoxyphenyl)-2-phenylethanone with cas registry number of 1023-17-2 belongs to the categorie of Aromatic Ketones (substituted). It has its own systematic name and IUPAC name which are the same called 1-(4-methoxyphenyl)-2-phenylethanone.

The physical properties about this chemical are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Index of Refraction: 1.569; (7)Molar Refractivity: 67.44 cm3; (8)Molar Volume: 205.6 cm3; (9)Surface Tension: 41.2 dyne/cm; (10)Density: 1.1 g/cm3; (11)Flash Point: 173.2 °C; (12)Enthalpy of Vaporization: 62.81 kJ/mol; (13)Boiling Point: 380 °C at 760 mmHg; (14)Vapour Pressure: 5.61E-06 mmHg at 25°C.

Preparation: There are several methods to prepare this chemical. Here is one example. It can be made by reaction of methoxybenzene with phenylacetic acid at temperature of 50 - 60 ℃. It also needs reagents: methanesulfonic acid, P2O5 with reaction time of 90 min.

Uses of 1-(4-Methoxyphenyl)-2-phenylethanone: it can be used for the synthesis of (4-methoxy-phenyl)-phenyl-ethanedione by using reagent SeO2 and aqueous dioxane.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(OC)cc1)Cc2ccccc2;
(2)InChI: InChI=1/C15H14O2/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3;
(3)InChIKey: PLALKSRAHVYFOH-UHFFFAOYAT