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Cas Database |
| Name |
1-(4-Methoxyphenyl)-2-phenylethanone |
EINECS | N/A |
| CAS No. | 1023-17-2 | Density | 1.1 g/cm3 |
| PSA | 26.30000 | LogP | 3.12060 |
| Solubility | N/A | Melting Point |
77-78 °C |
| Formula | C15H14O2 | Boiling Point | 380 °C at 760 mmHg |
| Molecular Weight | 226.275 | Flash Point | 173.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 207 |
1-(4-Methoxyphenyl)-2-phenylethanone Synthetic route
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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. |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
- 1023-17-2
4-methoxyphenyl benzyl ketone
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With 3-chloro-benzenecarboperoxoic acid In dichloromethane | 95% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With (BeDABCO)2Pd2Cl6; potassium carbonate In toluene at 20℃; for 0.583333h; Suzuki Coupling; | 91% |
1-(4-Methoxyphenyl)-2-phenylethanone 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.
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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.
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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
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