1-Phenylhexan-3-one supplier | CasNO.29898-25-7

Name
1-Phenylhexan-3-one
EINECS 249-937-9
CAS No. 29898-25-7
Article Data40
CAS DataBase
Density 0.95 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆O
Boiling Point 260.8 °C at 760 mmHg
Molecular Weight 176.258
Flash Point 107 °C
Transport Information
Appearance pale yellow to colorless liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Phenyl-3-hexanone;Phenethyl propyl ketone;
PSA 17.07000
LogP 2.98840

Synthetic route

: 82297-62-9
(E)-1-phenylhex-1-en-3-one

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
Pd-C In ethyl acetate	99.4%

: 928-49-4
hex-3-yne

: 256379-28-9
N-(3-methyl-2-pyridyl)-N-[(E)-3-phenyl-2-propenyl]amine

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
Stage #1: hex-3-yne; N-(3-methyl-2-pyridyl)-N-[(E)-3-phenyl-2-propenyl]amine With Wilkinson's catalyst; cyclohexylamine In toluene at 130℃; for 12h; Stage #2: With water; hydrogen cation Further stages.;	93%

: 104-53-0
3-phenyl-propionaldehyde

: 928-49-4
hex-3-yne

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
With 3-methylpyridin-2-ylamine; Wilkinson's catalyst; cyclohexylamine; aluminium trichloride In toluene at 130℃; for 12h;	91%

: 2180-43-0
1-phenyl-3-hexanol

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
With tert.-butylnitrite; 2-azatricyclo[3.3.1.13,7]dec-2-yloxidanyl In acetonitrile at 20℃; for 6h; chemoselective reaction;	90%
With dipyridinium dichromate In dichloromethane for 8h;	65%
With chromium(VI) oxide; acetic acid

: 4798-44-1
1-hexene-3-ol

: 873-55-2
sodium benzenesulfonate

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
With 4,7-Dimethyl-1,10-phenanthroline; palladium(II) trifluoroacetate; copper (II) trifluoroacetate hydrate In 1,4-dioxane at 100℃; for 20h; Sealed tube; regioselective reaction;	80%

: 591-50-4
iodobenzene

: 4798-44-1
1-hexene-3-ol

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
With potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); Tedicyp In N,N-dimethyl-formamide at 130℃; for 20h; Heck reaction;	78%

: 104-53-0
3-phenyl-propionaldehyde

: 557-93-7
2-bromoprop-1-ene

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
With acetylacetonatodicarbonylrhodium(l); potassium formate; potassium carbonate; triphenylphosphine In 1,2-dimethoxyethane at 130℃; for 16h; Inert atmosphere; Sealed tube;	78%

: 108-86-1
bromobenzene

: 18020-64-9
methyl 3-hydroxy-2-methylenehexanoate

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
With tetrabutylammomium bromide; sodium formate; sodium hydrogencarbonate; Pd-benzothiazole carbene at 130℃; for 20h;	77%

: 104-53-0
3-phenyl-propionaldehyde

: 558-37-2
tert-butylethylene

: 928-49-4
hex-3-yne

A: 29898-25-7
1-phenylhexan-3-one

B: 5054-71-7
6,6-dimethylheptan-3-one

C: 6,6-dimethyl-1-phenyl-3-heptanone

Conditions

Conditions	Yield
With 3-methylpyridin-2-ylamine; Wilkinson's catalyst; hexan-1-amine; 4-trifluoromethylbenzoic acid; water In toluene at 150℃; for 24h;	A 75% B 39% C 6%

...Expand

: 107-87-9
2-Pentanone

: 100-51-6
benzyl alcohol

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
With trifuran-2-yl-phosphane; C48H34F6N4O4Pd2; lithium hydroxide In neat (no solvent) at 80 - 100℃; for 24h; Inert atmosphere; Schlenk technique; Sealed tube;	72%
nickel In tetrahydrofuran at 76℃; for 8h;	36%
With nickel(0) nanoparticles In tetrahydrofuran at 76℃; for 8h; Inert atmosphere;	36%

: 292638-84-7
styrene

: 123-72-8
butyraldehyde

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
With tetrakis(tetrabutylammonium)decatungstate(VI); 4,4'-dimethoxyphenyl disulfide In acetonitrile at 20℃; for 18h; Sealed tube; Inert atmosphere; Irradiation;	62%

: 107-08-4
1-iodo-propane

: 645-59-0
dihydrocinnamonitrile

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
With nickel(II) iodide; samarium diiodide In tetrahydrofuran at 0℃; for 0.5h; Barbier reaction;	60%

: 944449-56-3
[3-cyclopropyl-3-(3-iodoallyloxy)-propyl]-benzene

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
Stage #1: [3-cyclopropyl-3-(3-iodoallyloxy)-propyl]-benzene With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene for 36h; Heating; Stage #2: With potassium fluoride In benzene for 24h; Further stages.;	33%

: 2-methyl-1-phenethylcyclopropan-1-ol

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; 10-phenyl-9-(2,4,6-trimethylphenyl)acridinium tetrafluoroborate; diphenyldisulfane In 1,2-dichloro-ethane for 12h; Inert atmosphere; Irradiation;	20%

: 82297-62-9, 90729-78-5, 4646-80-4
1-phenylhex-1-en-3-one

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
With cyclohexene; monoaluminum phosphate; silica gel; palladium at 100℃; for 3h;	19.6%
With ethanol; nickel Hydrogenation;
With hydrogen Product distribution / selectivity;

: 5905-48-6
dipropylcadmium

: 645-45-4
hydrocinnamic acid chloride

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
With benzene

: 107-92-6
butyric acid

: 501-52-0
3-Phenylpropionic acid

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
With thorium dioxide
With thorium dioxide at 460℃;

: 60012-62-6
phenyl-1 hexanol-2

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
With chromic acid

: 72551-30-5
(Z)-1-phenyl-3-(trimethylsiloxy)-3-hexene

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
With hydrogenchloride In methanol Yield given;

: 100-39-0
benzyl bromide

: 107-87-9
2-Pentanone

A: 29898-25-7
1-phenylhexan-3-one

B: 61780-85-6
3-benzyl-2-pentanone

Conditions

Conditions	Yield
With lithium chloride; manganese(ll) chloride; lithium diisopropyl amide 1.) 0 deg C, 1 h; 2.) THF, rt, 1 h then -78 deg C, 1 h; 3.) THF/NMP, -78 deg C, 1 h; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 113549-28-3
1-phenyl-2-(phenylsulfonyl)-hex-1-en-3-one

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
With aluminum amalgam

n-propyl-styryl ketone: n-propyl-styryl ketone

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
With sodium amalgam; ethanol; acetic acid

: 2417-93-8
propyllithium

: 645-45-4
hydrocinnamic acid chloride

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
Stage #1: propyllithium With copper(l) iodide In diethyl ether at -40℃; Stage #2: hydrocinnamic acid chloride In diethyl ether at -78℃;

: 944449-49-4
(3-cyclopropyl-3-prop-2-ynyloxypropyl)-benzene

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: tributyltin hydride; AINB / benzene / 4 h / Heating 1.2: 0.24 g / I2 / CH2Cl2 / 12 h / 20 °C 2.1: AIBN; tributyltin hydride / benzene / 36 h / Heating 2.2: 33 percent / aq. KF / benzene / 24 h View Scheme

: 52121-67-2
1-cyclopropyl-3-phenyl-1-propanol

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: cetyltrimethylammonium bromide; aq. NaOH / CH2Cl2 / 1.5 h / 20 °C 1.2: 23 percent / toluene; CH2Cl2 / 60 h / 20 °C 2.1: tributyltin hydride; AINB / benzene / 4 h / Heating 2.2: 0.24 g / I2 / CH2Cl2 / 12 h / 20 °C 3.1: AIBN; tributyltin hydride / benzene / 36 h / Heating 3.2: 33 percent / aq. KF / benzene / 24 h View Scheme

: 501-52-0
3-Phenylpropionic acid

: 29898-25-7
1-phenylhexan-3-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: SOCl2; DMF / ethyl acetate 2.1: CuI / diethyl ether / -40 °C 2.2: diethyl ether / -78 °C View Scheme

: 29898-25-7
1-phenylhexan-3-one

: 2180-43-0
1-phenyl-3-hexanol

Conditions

Conditions	Yield
With dicarbonyl-(2,4-bis(trimethylsilyl)bicyclo[3.3.0]nona-1,4-dien-3-one)[acetonitrile]iron; isopropyl alcohol at 80℃; for 18h; Inert atmosphere;	98%
With diethyl ether; sodium inactive propyl-β-phenethyl-carbinol;

: 75-77-4
chloro-trimethyl-silane

: 29898-25-7
1-phenylhexan-3-one

: 96-32-2
bromoacetic acid methyl ester

: 672284-81-0
3-trimethylsilyloxy-3-(2'-phenylethyl)caproic acid methyl ester

Conditions

Conditions	Yield
Stage #1: chloro-trimethyl-silane With zinc In ethyl acetate at 20 - 50℃; for 0.25h; Stage #2: 1-phenylhexan-3-one; bromoacetic acid methyl ester In ethyl acetate at 55 - 60℃; for 0.25h; Reformatsky Reaction; Stage #3: chloro-trimethyl-silane With piperazine Product distribution / selectivity; more than 3 stages;	95%
Stage #1: chloro-trimethyl-silane With zinc In tetrahydrofuran at 20 - 50℃; for 0.25h; Stage #2: 1-phenylhexan-3-one; bromoacetic acid methyl ester In tetrahydrofuran at 50℃; for 0.25h; Reformatsky Reaction; Stage #3: chloro-trimethyl-silane With N,N,N,N,-tetramethylethylenediamine Product distribution / selectivity; more than 3 stages;	92%
Stage #1: chloro-trimethyl-silane With zinc In tetrahydrofuran at 20 - 50℃; for 0.25h; Stage #2: 1-phenylhexan-3-one; bromoacetic acid methyl ester In tetrahydrofuran at 50℃; for 0.25h; Reformatsky Reaction; Stage #3: chloro-trimethyl-silane With piperazine Product distribution / selectivity; more than 3 stages;	91%

...Expand

: 29898-25-7
1-phenylhexan-3-one

: 4301-14-8
acetylenemagnesium bromide

: 3-phenethylhex-1-yn-3-ol

Conditions

Conditions	Yield
In tetrahydrofuran at 0℃; for 2h; Inert atmosphere;	91%

: 29898-25-7
1-phenylhexan-3-one

: 124-63-0
methanesulfonyl chloride

: 1-phenylhexan-3-yl methanesulfonate

Conditions

Conditions	Yield
Stage #1: 1-phenylhexan-3-one With sodium tetrahydroborate; ethanol at 20℃; for 3h; Inert atmosphere; Stage #2: methanesulfonyl chloride With triethylamine In dichloromethane at 20℃; for 15h; Inert atmosphere;	77%

: 29898-25-7
1-phenylhexan-3-one

: 18107-18-1
diazomethyl-trimethyl-silane

: 1266614-65-6
C17H26Si

Conditions

Conditions	Yield
Stage #1: diazomethyl-trimethyl-silane With n-butyllithium In tetrahydrofuran; diethyl ether; hexane at -78℃; for 0.5h; Inert atmosphere; Stage #2: 1-phenylhexan-3-one In tetrahydrofuran; diethyl ether; hexane at -78 - 20℃; for 4h; Inert atmosphere; regioselective reaction;	76%

: 29898-25-7
1-phenylhexan-3-one

: 67-64-1
acetone

: 1189366-32-2
C15H22O2

Conditions

Conditions	Yield
With lithium diisopropyl amide at -78℃; for 5h;	70%

: 29898-25-7
1-phenylhexan-3-one

: 141-97-9
ethyl acetoacetate

: 162174-87-0
5,6-dihydro-4-hydroxy-6-phenethyl-6-propyl-2H-pyran-2-one

Conditions

Conditions	Yield
Multistep reaction;	48%

: 141-82-2
malonic acid

: 29898-25-7
1-phenylhexan-3-one

: 328237-98-5
2-phenethyl-2-propyl-[1,3]dioxane-4,6-dione

Conditions

Conditions	Yield
With sulfuric acid; acetic anhydride	32%

: 29898-25-7
1-phenylhexan-3-one

: 1077-16-3
hexylbenzene

Conditions

Conditions	Yield
With hydrogenchloride; amalgamated zinc

: 29898-25-7
1-phenylhexan-3-one

: 16769-44-1
1-phenyl-hexan-3-one semicarbazone

: 29898-25-7
1-phenylhexan-3-one

: 1-phenyl-hexan-3-one oxime

: 29898-25-7
1-phenylhexan-3-one

: 105-56-6
ethyl 2-cyanoacetate

: 101582-27-8
2-cyano-3-phenethyl-hex-2-enoic acid ethyl ester

1-Phenylhexan-3-one Chemical Properties

Molecular Structure of 1-Phenylhexan-3-one (CAS NO.29898-25-7):

Molecular Formula: C₁₂H₁₆O
Molecular Weight: 176.2548
IUPAC Name: 1-Phenylhexan-3-one
Synonyms of 1-Phenylhexan-3-one (CAS NO.29898-25-7): AI3-21936 ; EINECS 249-937-9 ; 3-Hexanone, 1-phenyl-
CAS NO: 29898-25-7
Index of Refraction: 1.498
Molar Refractivity: 54.36 cm³
Molar Volume: 185.3 cm³
Surface Tension: 34.1 dyne/cm
Density: 0.95 g/cm³
Flash Point: 107 °C
Enthalpy of Vaporization: 49.85 kJ/mol
Boiling Point: 260.8 °C at 760 mmHg
Vapour Pressure of 1-Phenylhexan-3-one (CAS NO.29898-25-7): 0.012 mmHg at 25°C

Product Name

1-Phenylhexan-3-one

Synthetic route

1-Phenylhexan-3-one Chemical Properties

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