Conditions | Yield |
---|---|
With phosphate buffer; Phenyl acetate In diethyl ether for 2.75h; Ambient temperature; pig liver acetone powder; | A 5% B 100% |
Conditions | Yield |
---|---|
Stage #1: 4-Phenylbutyric acid With sodium tetrahydroborate In tetrahydrofuran at 60℃; for 0.25h; Stage #2: With iodine In tetrahydrofuran for 5h; Reagent/catalyst; | 99% |
Stage #1: 4-Phenylbutyric acid With sodium tetrahydroborate In tetrahydrofuran at 60℃; for 0.25h; Stage #2: With iodine In tetrahydrofuran for 5h; | 98.4% |
With C25H42N6Rh(1+)*CF3O3S(1-); phenylsilane In tetrahydrofuran at 30℃; for 20h; Inert atmosphere; | 96% |
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
With potassium fluoride; dihydrogen peroxide; potassium hydrogencarbonate In tetrahydrofuran; methanol at 50℃; Oxidation; | 98% |
With potassium fluoride; dihydrogen peroxide; potassium hydrogencarbonate In tetrahydrofuran; methanol at 50℃; for 6h; | 96% |
tert-butyldimethylsilyl 4-phenylbutyl ether
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In methanol; dichloromethane at 20 - 25℃; for 0.333333h; Flow reactor; | 98% |
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 0.5h; Inert atmosphere; | 249 mg |
Conditions | Yield |
---|---|
With ytterbium(III) triflate In isopropyl alcohol for 12h; Deacetylation; Heating; | 95% |
With 2,2-dibutyl-1,3,2-dioxastannane; cesium fluoride In N,N-dimethyl-formamide at 20℃; for 1h; | 95% |
Conditions | Yield |
---|---|
With iron(III) sulfate; water In toluene at 110℃; for 1h; Ionic liquid; | 95% |
4-Phenyl-1-butyne
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
With 1-hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II); Ru(Cp)(PPh2PytBu)2(MeCN)PF6; water In isopropyl alcohol at 70℃; for 48h; Inert atmosphere; regioselective reaction; | 95% |
With [2,2]bipyridinyl; formic acid; (η5-cyclopentadienyl) (η6-naphthalene)ruthenium hexafluorophosphate; water In tetrahydrofuran at 55℃; for 48h; | 88% |
With formic acid; F6P(1-)*C16H22N3Ru(1+); water In 1-methyl-pyrrolidin-2-one at 25℃; for 48h; Inert atmosphere; Sealed tube; | 87% |
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
With thiophenol; 1,1'-azobis(1-cyanocyclohexanenitrile) In chlorobenzene at 110℃; for 12h; | 94% |
4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butane
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
Stage #1: 4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butane With sodium perborate tetrahydrate; water In tetrahydrofuran at 40℃; for 0.0166667h; Schlenk technique; Flow reactor; Stage #2: With sodium thiosulfate In tetrahydrofuran Schlenk technique; Flow reactor; | 92% |
With sodium hydroxide; dihydrogen peroxide In tetrahydrofuran at 55℃; for 3h; | 80% |
2-(4-phenyl-butoxy)-tetrahydro-pyran
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
With indium(III) triflate In methanol; water at 0 - 20℃; for 6h; | 92% |
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
With N1,N1,N12,N12-tetramethyl-7,8-dihydro-6H-dipyrido[1,2-a:2,1'-c][1,4]diazepine-2,12-diamine In N,N-dimethyl-formamide at 20℃; for 2h; Inert atmosphere; | 91% |
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
With palladium diacetate; sodium hydride In N,N-dimethyl acetamide at 60℃; for 4h; | 91% |
trimethylstannane
A
3-phenyl-propionaldehyde
C
4-phenyl-butan-1-ol
D
3-benzyl propionaldehyde
Conditions | Yield |
---|---|
In benzene under Ar; 80°C, 5 h; | A <1 B 42% C 7% D 88% |
4-(4-bromophenyl)butanoic acid
A
4-phenyl-butan-1-ol
B
4-(p-bromophenyl)-butan-1-ol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In diethyl ether at 25℃; for 2.25h; | A 10% B 88% |
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
With oxalyl dichloride In 1,2-dichloro-ethane at 20℃; for 2.66667h; | 87% |
(4-(benzyloxy)butyl)benzene
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
With aluminium trichloride; N,N-dimethyl-aniline In dichloromethane for 0.5h; Ambient temperature; | 86% |
Stage #1: (4-(benzyloxy)butyl)benzene With Bromotrichloromethane; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate In dichloromethane at 20℃; for 12h; Inert atmosphere; Irradiation; Stage #2: With methanol In dichloromethane Inert atmosphere; | 67% |
ethyl 4-phenylbutyrate
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
Stage #1: ethyl 4-phenylbutyrate With polyethylsiloxane; LiTi(OPr-i)4 at 100℃; for 24h; Stage #2: With sodium hydroxide In tetrahydrofuran for 3h; Heating; | 85% |
With lithium aluminium tetrahydride; diethyl ether | |
With ethanol; sodium | |
With sodium hydroxide In tetrahydrofuran; water |
2-benzylsulfanyl-4-phenyl-butyraldehyde
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile); n-Bu3SH In benzene for 1.5h; Reduction; Heating; | 85% |
α-(trichloromethyl)benzenepropanol
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
With lithium borohydride; sodium hydroxide In isopropyl alcohol Temperature; Jocic Reaction; Heating; Inert atmosphere; | 85% |
Conditions | Yield |
---|---|
Stage #1: 4-chlorobutyl benzoate With aluminum (III) chloride In benzene at -5℃; for 2h; Cooling with ice; Large scale; Stage #2: With methanol; water; sodium hydroxide Reflux; Large scale; | 83% |
tetrahydrofuran
phenylmagnesium chloride
A
(3E)-4-phenyl-3-buten-1-ol
B
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
Stage #1: tetrahydrofuran; phenylmagnesium chloride With lithium chloride; manganese(ll) chloride at 0℃; for 0.5h; Inert atmosphere; Schlenk technique; Stage #2: With iodobenzene for 1h; Inert atmosphere; Schlenk technique; Stage #3: With water Inert atmosphere; Schlenk technique; | A 7% B 81% |
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
With potassium (4-methylphenyl)trifluoroborate In dimethyl sulfoxide at 37℃; for 10h; Inert atmosphere; | 80% |
3-phenyl-propionaldehyde
diazomethyl-trimethyl-silane
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
Stage #1: 3-phenyl-propionaldehyde; diazomethyl-trimethyl-silane With triphenylphosphine; isopropyl alcohol; Wilkinson's catalyst In tetrahydrofuran at 20℃; for 2h; Stage #2: pyrocatecholborane In 1,4-dioxane at 20℃; for 2h; Stage #3: With sodium hydroxide; dihydrogen peroxide In 1,4-dioxane at 20℃; for 3h; | 79% |
Conditions | Yield |
---|---|
With bis(cyclopentadienyl)titanium dichloride; manganese; water In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; | 79% |
With bis(cyclopentadienyl)titanium dichloride; manganese; water In tetrahydrofuran for 6h; | 78% |
(4-(tert-butoxy)butyl)benzene
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
With zinc dibromide In dichloromethane for 24h; dealkylation; | 78% |
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile); n-Bu3SH In benzene Reduction; | 77% |
4-phenyl-1-butylamine
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
With potassium hydroxide In diethylene glycol at 210℃; for 12h; Product distribution; Further Variations:; Reaction partners; Solvents; | 76% |
With potassium hydroxide In diethylene glycol at 210℃; Substitution; | 59% |
Conditions | Yield |
---|---|
With indium(III) chloride; diphenylsilyl chloride In 1,2-dichloro-ethane at 80℃; for 3h; | 76% |
Conditions | Yield |
---|---|
Stage #1: carbon monoxide; 1-iodo-3-phenylpropan With diethoxymethylane; [CuCl(IPrMe)]; lithium methanolate In tetrahydrofuran at 60℃; under 2280.15 Torr; for 16h; Sealed tube; Stage #2: With tetrabutyl ammonium fluoride In tetrahydrofuran; diethyl ether at 20℃; for 2h; Catalytic behavior; Reagent/catalyst; Pressure; | 75% |
Conditions | Yield |
---|---|
With tetra-(n-butyl)ammonium iodide; 1,2-dichloro-ethane; triphenylphosphine at 120℃; for 0.5h; Sealed tube; Inert atmosphere; | 100% |
With oxalyl dichloride In dichloromethane at 20℃; Appel Halogenation; Reflux; | 98% |
With thionyl chloride at 20℃; for 1.5h; Cooling with ice; Large scale; | 94% |
4-phenyl-butan-1-ol
3-benzyl propionaldehyde
Conditions | Yield |
---|---|
With sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine In dichloromethane at 0℃; for 1h; Inert atmosphere; | 100% |
With pyridinium chlorochromate In dichloromethane at 20℃; for 3h; | 100% |
With oxalyl dichloride; dimethyl sulfoxide In dichloromethane at -55℃; for 0.25h; Oxidation; Swern oxidation; | 99% |
Conditions | Yield |
---|---|
With [bis(acetoxy)iodo]benzene; triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 25℃; for 16h; Mitsunobu reaction; | 100% |
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
With ammonia; sodium In ethanol at -78 - 20℃; Birch reduction; | 100% |
With lithium In ethanol; ammonia at -78 - 20℃; Birch Reduction; liquid NH3; | 98.3% |
Conditions | Yield |
---|---|
With triphenylphosphine In dichloromethane; hexane-diethyl ether | 100% |
Conditions | Yield |
---|---|
Stage #1: 4-phenyl-butan-1-ol With 1,2-Diiodoethane; N,N-dimethyl-formamide; triphenylphosphine at 20℃; for 0.0166667h; Sealed tube; Inert atmosphere; Stage #2: With sodium azide at 20℃; Sealed tube; Inert atmosphere; | 100% |
Stage #1: 4-phenyl-butan-1-ol With dmap; triethylamine; p-toluenesulfonyl chloride In dichloromethane at 0 - 20℃; Stage #2: With sodium azide In N,N-dimethyl-formamide at 20℃; | 55% |
With sodium azide; methanesulfonyl chloride | |
Multi-step reaction with 2 steps 1: triphenylphosphine; iodine; 1H-imidazole / 5.25 h / 0 - 20 °C 2: sodium azide / N,N-dimethyl-formamide / 18 h / 20 °C View Scheme |
Conditions | Yield |
---|---|
Stage #1: 4-phenyl-butan-1-ol With 1,2-Diiodoethane; N,N-dimethyl-formamide; triphenylphosphine at 20℃; for 0.0166667h; Sealed tube; Inert atmosphere; Stage #2: 4-trifluoromethylbenzenethiol at 20℃; Sealed tube; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
Stage #1: 4-phenyl-butan-1-ol With 1,2-Diiodoethane; N,N-dimethyl-formamide; triphenylphosphine at 20℃; for 0.0166667h; Sealed tube; Inert atmosphere; Stage #2: sodium phenoxide at 20℃; Sealed tube; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
Stage #1: 4-phenyl-butan-1-ol With 1,2-Diiodoethane; N,N-dimethyl-formamide; triphenylphosphine at 20℃; for 0.0166667h; Sealed tube; Inert atmosphere; Stage #2: sodium 4-methoxyphenolate at 20℃; Sealed tube; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
Stage #1: 4-phenyl-butan-1-ol With 1,2-Diiodoethane; N,N-dimethyl-formamide; triphenylphosphine at 20℃; for 0.0166667h; Sealed tube; Inert atmosphere; Stage #2: potassium acetate at 20℃; Sealed tube; Inert atmosphere; | 100% |
4-phenyl-butan-1-ol
4-phenylbutyl benzoate
Conditions | Yield |
---|---|
With potassium hydroxide; benzoic acid | 99.7% |
4-phenyl-butan-1-ol
1-Bromo-4-phenylbutane
Conditions | Yield |
---|---|
With hydrogen bromide for 12h; Reagent/catalyst; Irradiation; Reflux; | 99.6% |
With allyl bromide; 1,1'-carbonyldiimidazole In acetonitrile for 1h; Heating; | 98% |
With carbon tetrabromide; triphenylphosphine In dichloromethane at 25℃; | 95% |
4-phenyl-butan-1-ol
methanesulfonyl chloride
4-phenylbutyl methanesulfonate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere; | 99% |
With triethylamine In dichloromethane for 16h; Ambient temperature; | 96% |
With triethylamine In dichloromethane at 5 - 10℃; for 1h; | 91% |
Conditions | Yield |
---|---|
With iron(III) chloride at 20℃; for 1h; Esterification; | 99% |
With tetrabutylammomium bromide; oxygen; sodium nitrite at 70℃; for 4h; Green chemistry; | 81% |
Conditions | Yield |
---|---|
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 1.5h; thioacetylation; | 99% |
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
With hydrogen; water-d2; palladium on activated charcoal at 110℃; under 760.051 Torr; for 24h; | 99% |
4-Cyanochlorobenzene
4-phenyl-butan-1-ol
4-(4-phenylbutoxy)benzonitrile
Conditions | Yield |
---|---|
Stage #1: 4-phenyl-butan-1-ol With sodium methylate In methanol at 130℃; for 2h; Stage #2: 4-Cyanochlorobenzene In methanol at 100℃; for 15h; Reagent/catalyst; Temperature; Solvent; | 98.1% |
phthalimide
4-phenyl-butan-1-ol
2-(4-phenylbutyl)-1H-isoindole-1,3(2H)-dione
Conditions | Yield |
---|---|
With triphenylphosphine; 3,3-dimethyl-1,2,5-thiadiazolidine-1,1-dioxide In dichloromethane for 2.5h; Ambient temperature; | 98% |
Conditions | Yield |
---|---|
Stage #1: carbon dioxide; 4-phenyl-butan-1-ol With tetra-(n-butyl)ammonium iodide; caesium carbonate In N,N-dimethyl-formamide at 23℃; for 1h; Stage #2: s-butyl bromide In N,N-dimethyl-formamide at 23℃; for 23h; | 98% |
With tetra-(n-butyl)ammonium iodide; caesium carbonate In N,N-dimethyl-formamide at 23℃; for 4h; | 91% |
Conditions | Yield |
---|---|
With pyridine N-oxide; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In dichloromethane at 20℃; for 2h; Reagent/catalyst; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate In toluene at 135℃; for 4h; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
With cesium hydroxide; 4 A molecular sieve; tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide at 23℃; for 11h; | 97% |
Conditions | Yield |
---|---|
With cesium hydroxide; 4 A molecular sieve In N,N-dimethyl-formamide at 23℃; for 3h; | 97% |
Stage #1: 4-phenyl-butan-1-ol With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; for 0.5h; Inert atmosphere; Stage #2: benzyl bromide In tetrahydrofuran; mineral oil at 20℃; for 12h; Inert atmosphere; |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 95℃; for 36h; | 97% |
methyl 2-fluoro-4-hydroxybenzoate
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
97% |
[(p-cymene)Ru(OTf)2]
4-phenyl-butan-1-ol
Conditions | Yield |
---|---|
In nitromethane (Ar); addn. of ligand to a mixt. of ruthenium complex and CH3NO2, heating to 60°C for 30 min; layering with CH2Cl2 and Et2O, standing overnight at -20°C, sepn., washing with CH2Cl2 and Et2O, drying in vac.; elem. anal.; | 97% |
IUPAC Name: 4-Phenylbutan-1-ol
Synonyms of Benzenebutanol (CAS NO.3360-41-6): 4-Phenylbutanol ; AI3-11560 ; EINECS 222-128-8 ; NSC 71383 ; Phenylbutyl alcohol ; 1-Butanol, 4-phenyl- (8CI) ; 4-Phenylbutan-1-ol
CAS NO: 3360-41-6
Molecular Formula: C10H14O
Molecular Weight: 150.2176
Molecular Structure:
Product Categories: Starting Raw Materials & Intermediates ; Alcohols ; C9 to C30 ; Oxygen Compounds
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 9.23 Å2
Index of Refraction: 1.522
Molar Refractivity: 46.6 cm3
Molar Volume: 152.7 cm3
Surface Tension: 38.3 dyne/cm
Density of Benzenebutanol (CAS NO.3360-41-6): 0.983 g/cm3
Flash Point: 114.3 °C
Enthalpy of Vaporization: 52.45 kJ/mol
Boiling Point: 258.8 °C at 760 mmHg
Vapour Pressure: 0.00686 mmHg at 25°C
Hazard Codes of Benzenebutanol (CAS NO.3360-41-6): Xi,C
Risk Statements: 34
R34: Causes burns.
Safety Statements: 23-24/25-45-36/37/39-27-26
S23: Do not breathe vapour.
S24/25: Avoid contact with skin and eyes.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S27: Take off immediately all contaminated clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: 222-128-8
HS Code: 29062900
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