Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

4-(4-Methoxyphenyl)-2-butanone
Related Products

Hot Products

Basic Information Post buying leads Suppliers Cas Database
Name

4-(4-Methoxyphenyl)-2-butanone

 EINECS 203-184-2
CAS No. 104-20-1 Density 1.01 g/cm3
PSA 26.30000 LogP 2.21680
Solubility Not miscible in water. Melting Point 8 ºC
Formula C11H14O2 Boiling Point 280.3 ºC at 760 mmHg
Molecular Weight 178.231 Flash Point 112 ºC
Transport Information N/A Appearance clear colourless to pale yellow liquid
Safety 23-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 104-20-1 (4-(4-Methoxyphenyl)-2-butanone) Hazard Symbols IrritantXi
Synonyms

2-Butanone,4-(p-methoxyphenyl)- (6CI,7CI,8CI);1-(4-Methoxyphenyl)-3-butanone;1-(p-Methoxyphenyl)-3-butanone;4-(p-Methoxyphenyl)-2-butanone;4-Methoxybenzylacetone;4-[4-(Methyloxy)phenyl]-2-butanone;Anisylacetone;ENT 20279;NSC 405366;Raspberry ketone methyl ether;

Article Data 121

4-(4-Methoxyphenyl)-2-butanone Synthetic route

943-88-4

4-(p-methoxyphenyl)-3-butene-2-one

104-20-1

4-(4-methoxyphenyl)-2-butanone

Conditions
ConditionsYield
With hydrogen; palladium supported on titanium dioxide In N,N-dimethyl-formamide at 139.84℃; under 3750.38 Torr; for 24h;99%
With bismuth(lll) trifluoromethanesulfonate; ammonium chloride; malononitrile In dichloromethane at 20℃; for 50h; regioselective reaction;99%
With hydrogen In water at 25℃; for 2h; chemoselective reaction;95%
123-11-5

4-methoxy-benzaldehyde

67-64-1

acetone

104-20-1

4-(4-methoxyphenyl)-2-butanone

Conditions
ConditionsYield
With Pd-MgO; hydrogen at 75℃; under 3750.38 Torr; for 1.25h;99%
123-11-5

4-methoxy-benzaldehyde

1439-36-7

1-triphenylphosphoranylidene-2-propanone

104-20-1

4-(4-methoxyphenyl)-2-butanone

Conditions
ConditionsYield
With N,N-dimethyl acetamide; palladium 10% on activated carbon; hydrogen In ethanol; water at 20℃; under 760.051 Torr; for 18h; chemoselective reaction;99%
3815-30-3

4-(4-methoxyphenyl)-3-buten-2-one

104-20-1

4-(4-methoxyphenyl)-2-butanone

Conditions
ConditionsYield
With [(COD)Ir(dimethylphenylphosphine)(1,3-bis(2,4,6-trimethylphenyl)imidazolin-2-ylidene)](tetrakis(3,5-bis(trifluoromethyl)phenyl)borate); hydrogen In dichloromethane at -78 - 25℃; under 760.051 Torr; for 2h; chemoselective reaction;97%
With hydrogen; palladium on activated charcoal In ethanol at 20℃; under 3102.89 Torr; Catalytic hydrogenation;90%
With methanol; formic acid; water; silica gel; palladium dichloride for 0.75h; Irradiation; microwave;85%
67-64-1

acetone

105-13-5

4-Methoxybenzyl alcohol

104-20-1

4-(4-methoxyphenyl)-2-butanone

Conditions
ConditionsYield
With potassium phosphate; 5%-palladium/activated carbon In toluene at 80℃; for 44h; Inert atmosphere;91.4%
With potassium phosphate In toluene at 60℃; for 24h; Inert atmosphere;73%
1044218-00-9

C32H32O5

104-20-1

4-(4-methoxyphenyl)-2-butanone

Conditions
ConditionsYield
In water; acetonitrile for 0.416667h; UV-irradiation;91%

4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-2-ol

104-20-1

4-(4-methoxyphenyl)-2-butanone

Conditions
ConditionsYield
With 2,3,5-trimethyl-pyridine; [Ir(2-(2,4-difluorophenyl)-5-(trifluoromethyl)pyridine)2(5,5'-bis(trifluoromethyl)-2,2'-bipyridyl)](PF6); thiophenol In dichloromethane at 20℃; Sealed tube; Inert atmosphere; Irradiation;89%
55831-55-5

1-isoprenyloxymethyl-4-methoxybenzene

104-20-1

4-(4-methoxyphenyl)-2-butanone

Conditions
ConditionsYield
With Dimethylphenylsilane; C19H8O7Ru3 In 1,4-dioxane at 50℃; for 1h; Inert atmosphere;88%
tris(pentafluorophenyl)borate In dichloromethane at 20℃;78%
tris(pentafluorophenyl)borate In dichloromethane at 20℃; for 0.0833333h; Product distribution; Further Variations:; Catalysts; Temperatures;78%
598-32-3

2-hydroxy-3-butene

696-62-8

para-iodoanisole

104-20-1

4-(4-methoxyphenyl)-2-butanone

Conditions
ConditionsYield
With tetrabutyl-ammonium chloride; sodium hydrogencarbonate In N,N-dimethyl-formamide at 100℃; for 9h; Heck Reaction; Inert atmosphere; regioselective reaction;87%
With tetrabutyl-ammonium chloride; sodium hydrogencarbonate; palladium diacetate In water at 80℃; for 24h;86%
104-92-7

1-bromo-4-methoxy-benzene

98837-36-6, 111002-28-9, 112572-93-7, 18020-65-0

methyl 3-hydroxy-2-methylenebutyrate

104-20-1

4-(4-methoxyphenyl)-2-butanone

Conditions
ConditionsYield
With potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); (1RS,2RS,3SR,4SR)-1,2,3,4-tetrakis((diphenylphosphanyl)methyl)cyclopentane In N,N-dimethyl-formamide at 130℃; for 20h;87%

4-(4-Methoxyphenyl)-2-butanone Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

4-(4-Methoxyphenyl)-2-butanone Specification

The 4-(p-Methoxyphenyl)-2-butanone, with the CAS registry number 104-20-1, is also known as 2-Butanone, 4-(p-methoxyphenyl)-. It belongs to the product categories of Aromatic Ketones (substituted); Ketone; Miscellaneous. Its EINECS registry number is 203-184-2. This chemical's molecular formula is C11H14O2 and molecular weight is 178.23. What's more, both its IUPAC name and systematic name are the same which is called 4-(4-Methoxyphenyl)butan-2-one.

Physical properties about 4-(p-Methoxyphenyl)-2-butanone are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 9.46; (6)ACD/BCF (pH 7.4): 9.46; (7)ACD/KOC (pH 5.5): 173.8; (8)ACD/KOC (pH 7.4): 173.8; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 51.77 cm3; (15)Molar Volume: 176.3 cm3; (16)Surface Tension: 33.7 dyne/cm; (17)Density: 1.01 g/cm3; (18)Flash Point: 112 °C; (19)Enthalpy of Vaporization: 51.9 kJ/mol; (20)Boiling Point: 280.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00382 mmHg at 25 °C.

Preparation of 4-(p-Methoxyphenyl)-2-butanone: this chemical can be prepared by 4t-(4-Methoxy-phenyl)-but-3-en-2-one. This reaction needs reagent sodium-amalgam.

4-(p-Methoxyphenyl)-2-butanone can be prepared by 4t-(4-Methoxy-phenyl)-but-3-en-2-one.

Uses of 4-(p-Methoxyphenyl)-2-butanone: (1) it is used as perfume; (2) it is used to produce other chemicals. For example, it can react to get 4-(4-Methoxy-phenyl)-butan-2-ol. The reaction occurs with reagents decaborane, cerium(III) chloride heptahydrate, pyrrolidine and solvent methanol at temperature of 50 °C for 6 hours. The yield is 95 %.

4-(p-Methoxyphenyl)-2-butanone can react to get 4-(4-Methoxy-phenyl)-butan-2-ol.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should avoid contacting with skin and eyes. Additionally, you should not breathe the gas/fumes/vapour/spray.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C)CCc1ccc(OC)cc1
(2) InChI: InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
(3) InChIKey: PCBSXBYCASFXTM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 929, 1974.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 929, 1974.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 104-20-1