4-(4-Methoxyphenyl)-2-butanone supplier

Name
4-(4-Methoxyphenyl)-2-butanone
EINECS 203-184-2
CAS No. 104-20-1
Article Data121
CAS DataBase
Density 1.01 g/cm³
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
Appearance clear colourless to pale yellow liquid
Safety 23-24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 26.30000
LogP 2.21680

Synthetic route

: 943-88-4
4-(p-methoxyphenyl)-3-butene-2-one

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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%

: 909413-27-0
N-t-butyl-12-(4-methoxyphenyl)-5,6,7,12-tetrahydrodibenz[c,f] [1,5]azastibocine

: 78-94-4
methyl vinyl ketone

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

Conditions

Conditions	Yield
With chloro(1,5-cyclooctadiene)rhodium(I) dimer In N-methyl-2-pyrrolidinone; water at 100℃; for 1h;	87%
With chloro(1,5-cyclooctadiene)rhodium(I) dimer In 1-methyl-pyrrolidin-2-one; water at 100℃; for 1h; Inert atmosphere;	87%

: 936716-93-7
C31H30O4

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

Conditions

Conditions	Yield
In water; acetonitrile for 1h; Photolysis;	86%

: 946408-42-0
C20H24O5

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

Conditions

Conditions	Yield
With air In water; acetonitrile for 3h; Irradiation;	86%

: 67952-38-9
4-(4-methoxy-phenyl)-butan-2-ol

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

Conditions

Conditions	Yield
With oxone; C18H17IN2O7PolS(1-)*Na(1+); tetra(n-butyl)ammonium hydrogensulfate In acetonitrile at 70℃; for 18h; Reagent/catalyst; Solvent; Sealed tube; Green chemistry;	86%
With α,α-diphenyl-5-methoxysalicyl alcohol; sulfuric acid In dichloromethane at 70℃; for 10.3h;	81%
With Thermoanaerobacter ethanolicus secondary alcohol dehydrogenase W110G mutant; NADP In acetone at 50℃; for 24h; pH=8; Enzymatic reaction;
With nicotinamide adenine dinucleotide phosphate; secondary alcohol dehydrogenase W110G mutant from thermoanaerobacter pseudoethanolicus; acetone In aq. buffer at 50℃; for 24h; pH=8; Reagent/catalyst; Enzymatic reaction;

: 67-64-1
acetone

: 105-13-5
4-Methoxybenzyl alcohol

A: 104-20-1
4-(4-methoxyphenyl)-2-butanone

B: 74882-32-9
1,5-bis(4-methoxyphenyl)pentan-3-one

Conditions

Conditions	Yield
With [Cp*2Ir2(μ-N,N′-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)oxalamidato)Cl2]; calcium hydroxide at 120℃; under 2250.23 Torr; for 15h; Autoclave; Inert atmosphere;	A 84% B n/a

...Expand

: 598-32-3
2-hydroxy-3-butene

: 66107-29-7
4-methoxyphenyl triflate

A: 104-20-1
4-(4-methoxyphenyl)-2-butanone

B: 141172-02-3
3-(4-methoxyphenyl)-3-buten-2-ol

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; triethylamine; palladium diacetate In N,N-dimethyl-formamide at 80℃; for 24h;	A 2% B 83%

...Expand

: 5720-07-0
4-methoxyphenylboronic acid

: 78-94-4
methyl vinyl ketone

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

Conditions

Conditions	Yield
With RhCl3(H2O)3; (+/-)2,2'-bis(diphenylphosphino)-1,1'-binaphthalene In water; toluene at 80℃; for 40h; Heating;	83%
With RhCl(cycloocta-1,5-diene){3-benzyl-1-(2-hydroxy-2-phenylethyl)imidazol-2-ylidene}; sodium hydroxide; cyclo-octa-1,5-diene In toluene at 60℃; for 6h; Catalytic behavior;	80%
With [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate; 3-quinuclidinol In methanol; acetone at 30℃; for 24h; Sealed tube; Irradiation; Inert atmosphere; Schlenk technique;	60%

: 36600-75-6
2-(4-methoxy-benzyl)-3-oxo-butyric acid ethyl ester

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

Conditions

Conditions	Yield
With sodium hydroxide In water at 80℃; for 3h; Temperature;	82%
With potassium hydroxide

: 104-92-7
1-bromo-4-methoxy-benzene

: 78-94-4
methyl vinyl ketone

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

Conditions

Conditions	Yield
With tetrabutylammomium bromide; tetra-(n-butyl)ammonium iodide; nickel dibromide In pyridine; N,N-dimethyl-formamide at 70℃; Electrochemical reaction;	82%
Stage #1: methyl vinyl ketone With [2,2]bipyridinyl; water; cobalt(II) bromide In N,N-dimethyl-formamide at 20℃; for 0.166667h; Stage #2: 1-bromo-4-methoxy-benzene With pyridine; trifluoroacetic acid; lithium bromide; zinc In N,N-dimethyl-formamide at 80℃; for 0.333333h;	45%

: 876-27-7
4-chlorophenyl acetate

: 32271-54-8, 134747-45-8, 77254-94-5
(E)-1-(4-methoxyphenyl)pent-1-en-3-ol

A: 104-20-1
4-(4-methoxyphenyl)-2-butanone

B: 3815-30-3
4-(4-methoxyphenyl)-3-buten-2-one

C: 291314-82-4
(R)-trans-2-acetoxy-4-(4-methoxyphenyl)but-3-ene

Conditions

Conditions	Yield
With RuCl3H(p-cymene)2; immobilized lipase from Pseudomonas cepacia; triethylamine In dichloromethane at 20 - 25℃; for 48h; Acetylation; oxidation; reduction; Enzymatic reaction;	A n/a B n/a C 81%

...Expand

: 78-94-4
methyl vinyl ketone

: potassium 4-(methoxy)phenyltrifluoroborate

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

Conditions

Conditions	Yield
With [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate In methanol; acetone at 20℃; for 8h; Giese Free Radical Synthesis; Irradiation; Green chemistry;	81%

: 1779-49-3
Methyltriphenylphosphonium bromide

: 749927-93-3
N-methoxy-N-methyl-3-(4-methoxyphenyl)propionamide

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

Conditions

Conditions	Yield
Stage #1: Methyltriphenylphosphonium bromide With n-butyllithium In tetrahydrofuran; hexane at -15℃; Stage #2: N-methoxy-N-methyl-3-(4-methoxyphenyl)propionamide In tetrahydrofuran; hexane at -78 - 20℃; Wittig reaction; Stage #3: With hydrogenchloride In tetrahydrofuran; diethyl ether; hexane at 20℃;	79%

: 201230-82-2
carbon monoxide

: 5720-07-0
4-methoxyphenylboronic acid

: 78-94-4
methyl vinyl ketone

A: 104-20-1
4-(4-methoxyphenyl)-2-butanone

B: 90-96-0
bis(p-methoxyphenyl)methanone

C: 2108-54-5
1-(4-methoxyphenyl)pentane-1,4-dione

Conditions

Conditions	Yield
carbonylhydridetris(triphenylphosphine)rhodium(I) In methanol at 80℃; under 15001.2 Torr; for 18h;	A 6 % Chromat. B 3 % Chromat. C 76%

...Expand

: 17701-11-0
4-(4-methoxy-phenyl)-butan-2-one semicarbazone

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

Conditions

Conditions	Yield
With ammonium persulfate; montmorrilonite K10 clay In solid for 0.0266667h; Irradiation; microwave irradiation;	75%

: 598-32-3
2-hydroxy-3-butene

: 1950-68-1
4-methoxybenzenesulfonyl hydrazide

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

Conditions

Conditions	Yield
With tetrabutylammomium bromide; oxygen; palladium diacetate In dimethyl sulfoxide; N,N-dimethyl-formamide at 70℃; under 760.051 Torr; Heck Reaction; Schlenk technique;	75%

: 104-92-7
1-bromo-4-methoxy-benzene

: 598-32-3
2-hydroxy-3-butene

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

Conditions

Conditions	Yield
With di-tert-butylneopentylphosphonium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; bis(dibenzylideneacetone)-palladium(0) In N,N-dimethyl-formamide at 24℃; for 1h; Heck Reaction; Glovebox;	75%

[TpRe(CO)(BuIm)(4β-(3-oxo-butyl)-5α,6α-η2-(4H-anisolium))](OTf): [TpRe(CO)(BuIm)(4β-(3-oxo-butyl)-5α,6α-η2-(4H-anisolium))](OTf)

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

Conditions

Conditions	Yield
With sodium hydrogencarbonate; copper(ll) bromide In acetonitrile for 1h;	74%

: 153993-00-1
tert-Butyl-[3-(4-methoxy-phenyl)-1-methylene-propoxy]-dimethyl-silane

A: 104-20-1
4-(4-methoxyphenyl)-2-butanone

B: 4133-34-0
7-methoxyl-2-tetralone

Conditions

Conditions	Yield
With naphthalene-1,4-dicarbonitrile In water; acetonitrile for 3h; Irradiation;	A 10% B 72%
With naphthalene-1,4-dicarbonitrile In water; acetonitrile for 4h; Cyclization; desilylation; Irradiation;	A 10% B 72%

: 104-94-9
4-methoxy-aniline

: 78-94-4
methyl vinyl ketone

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

Conditions

Conditions	Yield
With hydrogenchloride; titanium(III) chloride; sodium nitrite 1.) 0-5 degC, 2.) Acetone, 30 min, 40 degC;	70%
With hydrogenchloride; iron; sodium nitrite In water; acetone at 0 - 20℃; Reagent/catalyst; Meerwein Arylation;	52%

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 4301-14-8
acetylenemagnesium bromide

: 5-(4-methoxy-phenyl)-3-methyl-pent-1-yn-3-ol

Conditions

Conditions	Yield
In tetrahydrofuran at -20 - 20℃; Inert atmosphere;	100%
In tetrahydrofuran at 0℃; for 2h;	82%

: 1044217-94-8
α,α-diphenyl-3,5-dimethoxysalicyl alcohol

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 1044218-00-9
C32H32O5

Conditions

Conditions	Yield
With phosphorus pentoxide; toluene-4-sulfonic acid In benzene at 23℃; for 1h;	99%

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 67952-38-9
4-(4-methoxy-phenyl)-butan-2-ol

Conditions

Conditions	Yield
With sodium tetrahydroborate In methanol at 0 - 20℃; for 1h; Inert atmosphere;	98%
With methanol; sodium tetrahydroborate at 0℃; for 2h; Inert atmosphere;	98%
With pyrrolidine; cerium(III) chloride; Decaborane In methanol at 50℃; for 6h;	95%

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 18162-48-6
tert-butyldimethylsilyl chloride

: 153993-00-1
tert-Butyl-[3-(4-methoxy-phenyl)-1-methylene-propoxy]-dimethyl-silane

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 3h;	98%
Stage #1: 4-(4-methoxyphenyl)-2-butanone With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.333333h; Metallation; Stage #2: tert-butyldimethylsilyl chloride In tetrahydrofuran at -78 - 20℃; for 3h; silylation;

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 149-73-5
trimethyl orthoformate

: 122948-45-2
4-(p-Methoxyphenyl)-2-butanone dimethyl acetal

Conditions

Conditions	Yield
With Decaborane In methanol at 20℃; for 0.333333h;	98%
In methanol at 20℃; for 48h;	95%
With toluene-4-sulfonic acid In methanol Heating;
With toluene-4-sulfonic acid at 25℃;

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 1073-69-4
N-4-chlorophenylhydrazine

A: 1381772-16-2
(Z)-1-(4-chlorophenyl)-2-(4-(4-methoxyphenyl)butan-2-ylidene)hydrazine

B: 1381772-13-9
(E)-1-(4-chlorophenyl)-2-(4-(4-methoxyphenyl)butan-2-ylidene)hydrazine

Conditions

Conditions	Yield
In dichloromethane for 17h; Molecular sieve; Inert atmosphere; Reflux;	A n/a B 98%

...Expand

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 105-58-8
Diethyl carbonate

: 82782-33-0
5-(4-methoxyphenyl)-3-oxopentanoic acid,ethyl ester

Conditions

Conditions	Yield
Stage #1: Diethyl carbonate With sodium hydride In diethyl ether Reflux; Inert atmosphere; Stage #2: 4-(4-methoxyphenyl)-2-butanone In diethyl ether for 17h; Reflux; Inert atmosphere;	97%
With sodium hydride

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 624-65-7
2-propynyl chloride

: 1210957-60-0, 1210957-78-0
C14H18O2

Conditions

Conditions	Yield
With manganese; TiCpCl2 In tetrahydrofuran at 20℃; for 8h; Inert atmosphere;	96%
With 2,4,6-trimethyl-pyridine; bis(cyclopentadienyl)titanium dichloride; manganese; chloro-trimethyl-silane In tetrahydrofuran for 7h; Barbier type propargylation; Inert atmosphere;	70%

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 107-05-1
3-chloroprop-1-ene

: 1071821-48-1
1-(4-methoxyphenyl)-3-methylhex-5-en-3-ol

Conditions

Conditions	Yield
With manganese; TiCpCl2 In tetrahydrofuran at 20℃; for 2h; Inert atmosphere;	96%

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 3815-30-3
4-(4-methoxyphenyl)-3-buten-2-one

Conditions

Conditions	Yield
With oxygen; palladium diacetate; trifluoroacetic acid In dimethyl sulfoxide at 80℃; for 7h; Sealed tube;	96%
With iron(III) chloride; 1,10-Phenanthroline; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In chlorobenzene at 120℃; for 60h; Inert atmosphere; Schlenk technique;	82%

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 124-63-0
methanesulfonyl chloride

: 4-(4-methoxyphenyl)butan-2-yl methanesulfonate

Conditions

Conditions	Yield
Stage #1: 4-(4-methoxyphenyl)-2-butanone With sodium tetrahydroborate; ethanol at 20℃; for 3h; Inert atmosphere; Stage #2: methanesulfonyl chloride With triethylamine In dichloromethane at 20℃; for 15h; Inert atmosphere;	96%

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 52271-43-9
4-(4-methoxyphenyl)-2-butanone oxime

Conditions

Conditions	Yield
With ammonium hydroxide; hydroxylamine hydrochloride In ethanol; water for 0.25h;	95%
With hydroxylamine hydrochloride; sodium acetate In ethanol; water at 100℃;

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 72824-04-5
2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: 1071821-48-1
1-(4-methoxyphenyl)-3-methylhex-5-en-3-ol

Conditions

Conditions	Yield
With indium In water at 30℃; for 24h; Inert atmosphere;	95%

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 3536-96-7
vinylmagnesium chloride

: C13H18O2

Conditions

Conditions	Yield
In tetrahydrofuran at 0℃; for 0.5h; Grignard Reaction;	95%
In tetrahydrofuran at 0℃; for 0.5h;

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 5471-51-2
4-(4-hydroxyphenyl)-2-oxobutane

Conditions

Conditions	Yield
With hydrogenchloride In water at 250℃; under 37503.8 Torr; for 3h; Autoclave; Inert atmosphere; Green chemistry;	94%
With hydrogen bromide; acetic acid In water at 130℃; for 4h; Reagent/catalyst; Temperature; Solvent;	86%
With hydrogen bromide; acetic acid

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 96700-98-0
C14H23BrO3SiZn

: 2-[4-(tert-Butyl-dimethyl-silanyloxy)-2,6-dimethoxy-phenyl]-4-(4-methoxy-phenyl)-butan-2-ol

Conditions

Conditions	Yield
In toluene Ambient temperature;	93%

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 946408-35-1
3,5-dimethoxysalicylic alcohol

: 946408-42-0
C20H24O5

Conditions

Conditions	Yield
With phosphorus pentoxide; toluene-4-sulfonic acid In toluene at 0℃;	93%

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 4-(4-methoxyphenyl)butan-2-ol

Conditions

Conditions	Yield
With sodium borodeuteride In tetrahydrofuran at 25℃; for 5h;	93%
With methanol; lithium borodeuteride at 40℃; for 12h; Reagent/catalyst; Inert atmosphere;	85%

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 120-20-7
2-(3,4-dimethoxyphenyl)-ethylamine

: N-[1-methyl-3-(4-methoxyphenyl)propyl]-2-(3,4-dimethoxyphenyl)ethylamine hydrochloride

Conditions

Conditions	Yield
Stage #1: 4-(4-methoxyphenyl)-2-butanone; 2-(3,4-dimethoxyphenyl)-ethylamine With 5%-palladium/activated carbon; ammonium formate; acetic acid In dichloromethane at 40℃; for 3h; Stage #2: With hydrogenchloride In water for 1h; Reagent/catalyst;	92.04%
With toluene-4-sulfonic acid; palladium In water; toluene

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 676-58-4
methylmagnesium chloride

: 14305-29-4
3-hydroxy-1-(4-methoxyphenyl)-3-methylbutane

Conditions

Conditions	Yield
In tetrahydrofuran at 0 - 20℃; for 2h; Inert atmosphere;	92%
In tetrahydrofuran; diethyl ether at 20℃; for 2h;	84%

: 936716-83-5
α,α-diphenyl-5-methoxysalicyl alcohol

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 936716-93-7
C31H30O4

Conditions

Conditions	Yield
With phosphorus pentoxide; toluene-4-sulfonic acid In benzene at 23℃; for 8h;	91%

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 104-55-2
3-phenyl-propenal

: 1-(4-methoxyphenyl)-7-phenylhepta-4,6-dien-3-one

Conditions

Conditions	Yield
Stage #1: 4-(4-methoxyphenyl)-2-butanone With pyrrolidine; acetic acid In diethyl ether at 0℃; for 0.666667h; Stage #2: 3-phenyl-propenal In diethyl ether at 20℃; for 65.5h;	90%

: 61-54-1
tryptamine

: 104-20-1
4-(4-methoxyphenyl)-2-butanone

: 1-(4-methoxyphenethyl)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Conditions

Conditions	Yield
With 10 wt% Pd(OH)2 on carbon; sodium formate In water at 100℃; for 6h; Inert atmosphere; regioselective reaction;	90%

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.

Product Name

4-(4-Methoxyphenyl)-2-butanone

Synthetic route

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

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

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