3'-Hydroxypropiophenone supplier

Name
3'-Hydroxypropiophenone
EINECS 236-027-1
CAS No. 13103-80-5
Article Data18
CAS DataBase
Density 1.104 g/cm³
Solubility
Melting Point 82 °C
Formula C₉H₁₀O₂
Boiling Point 288.9 °C at 760 mmHg
Molecular Weight 150.177
Flash Point 121.4 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms NSC 63366;m-Hydroxypropiophenone;Propiophenone,3'-hydroxy- (7CI,8CI);1-(3-Hydroxyphenyl)-1-propanone;
PSA 37.30000
LogP 1.98490

Synthetic route

: 55789-02-1
α-ethyl-3-hydroxybenzyl alcohol

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

Conditions

Conditions	Yield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,4-dioxane for 72h;	97%

: 37951-49-8
1-(3-methoxyphenyl)propan-1-one

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

Conditions

Conditions	Yield
Stage #1: 1-(3-methoxyphenyl)propan-1-one With aluminum (III) chloride In toluene at 20℃; for 5h; Heating / reflux; Stage #2: With hydrogenchloride; water In toluene	94%
With aluminum (III) chloride In toluene at 20℃; for 5h; Heating / reflux;	94%
With pyridine; hydrogenchloride at 210℃; for 0.5h;	85%
With hydrogen bromide; acetic acid at 100℃; for 6h;	1.73 g

: 121-71-1
3-Hydroxyacetophenone

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

Conditions

Conditions	Yield
With ammonium peroxydisulfate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer In water at 110℃; for 3h; Inert atmosphere; Sealed tube;	63%

: 1197-05-3
1-(3-amino-phenyl)-propan-1-one

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

Conditions

Conditions	Yield
With sulfuric acid und Eintragen des Reaktionsgemisches in wss. NaNO2-Loesung in der Waerme;
With hydrogenchloride; sodium nitrite in der Kaelte und Erwaermen des Reaktionsgemisches;
With sulfuric acid; sodium nitrite und Eintragen des Reaktionsgemisches in mit Toluol ueberschichtete, auf 60grad erwaermte wss. Schwefelsaeure;

: 15789-04-5
N,N-diethyl 3-hydroxybenzamide

: 925-90-6
ethylmagnesium bromide

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

Conditions

Conditions	Yield
With diethyl ether; dibutyl ether Erhitzen des vom Diaethylaether befreiten Reaktionsgemisches auf Siedetemperatur und anschliessende Hydrolyse;

: 1-(3-acetoxy-phenyl)-propan-1-one

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

Conditions

Conditions	Yield
With sodium hydroxide

: 5453-62-3
β-dimethylamino-m-hydroxypropiophenone hydrochloride

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

Conditions

Conditions	Yield
With ethanol; nickel at 80℃; under 58840.6 Torr; Hydrogenation;

: 36282-40-3
(3-methoxyphenyl)magnesium bromide

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 97 percent / tetrahydrofuran; diethyl ether / -70 °C 2: 85 percent / pyridine, concd. HCl / 0.5 h / 210 °C View Scheme

: 100-83-4
meta-hydroxybenzaldehyde

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 58 percent / diethyl ether / 1 h 2: 97 percent / DDQ / dioxane / 72 h View Scheme

: 16446-73-4
3-(chlorocarbonyl)phenyl acetate

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: anschliessendes Behandeln mit wss. Natronlauge 2: dibutyl ether; diethyl ether / Erhitzen des vom Diaethylaether befreiten Reaktionsgemisches auf Siedetemperatur und anschliessende Hydrolyse View Scheme

: 123-91-1
1,4-dioxane

: 84-58-2
2,3-dicyano-5,6-dichloro-p-benzoquinone

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: 586-38-9
3-Methoxybenzoic acid

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: oxalyl dichloride / N,N-dimethyl-formamide; tetrahydrofuran / 2 h / 20 °C 1.2: 4 h / 20 °C 2.1: ethylmagnesium bromide / tetrahydrofuran / 2 h / 0 - 20 °C 3.1: acetic acid; hydrogen bromide / 6 h / 100 °C View Scheme

: 152121-82-9
N,3‐dimethoxy‐N‐methylbenzamide

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ethylmagnesium bromide / tetrahydrofuran / 2 h / 0 - 20 °C 2: acetic acid; hydrogen bromide / 6 h / 100 °C View Scheme

: 1711-05-3
m-anisoyl chloride

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: pyridine / tetrahydrofuran; dichloromethane / 15 h / 5 - 15 °C 2: tetrahydrofuran / 2.5 h / 5 - 20 °C 3: aluminum (III) chloride / toluene / 5 h / 20 °C / Heating / reflux View Scheme

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: 74-88-4
methyl iodide

: 37951-49-8
1-(3-methoxyphenyl)propan-1-one

Conditions

Conditions	Yield
Stage #1: 1-(3-hydroxyphenyl)propan-1-one With potassium hydroxide In acetone at 40℃; for 0.5h; Stage #2: methyl iodide With tetrabutylammomium bromide; potassium carbonate In acetone at 40 - 45℃; for 12h;	99%

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: 105-36-2
ethyl bromoacetate

: ethyl ((3-propanoylphenyl)oxy)acetate

Conditions

Conditions	Yield
With potassium carbonate In acetone at 20℃; for 5h; Heating / reflux;	98%

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: 628-89-7
2-(2-Chloroethoxy)ethanol

: 1-(3-((2-((2-hydroxyethyl)oxy)ethyl)oxy)phenyl)-1-propanone

Conditions

Conditions	Yield
With potassium carbonate In acetone for 60h; Heating / reflux;	95%

: 2969-81-5
4-bromoethylbutanoate

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: ethyl 4-((3-propanoylphenyl)oxy)butanoate

Conditions

Conditions	Yield
With potassium carbonate In acetone for 15h; Heating / reflux;	92%

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: 55789-02-1
α-ethyl-3-hydroxybenzyl alcohol

Conditions

Conditions	Yield
With methanol; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; 6,6′‐dihydroxyl‐2,2′‐bipyridine; potassium hydroxide at 60℃; for 24h; Inert atmosphere;	88%

: 553-53-7
Nicotinic acid hydrazide

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: 3‑pyridinecarboxylic acid [1‑(3‑hydroxyphenyl)propylidene]hydrazide

Conditions

Conditions	Yield
With aluminium(III) chloride hexahydrate In water at 60℃; for 3h; Green chemistry;	86%

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: 939-26-4
2-bromomethylnaphthyl bromide

: 129425-69-0
1-<3-(naphth-2-ylmethoxy)phenyl>propan-1-one

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 18h; Ambient temperature;	85%

: 10229-10-4
pent-3-yn-1-ol

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: 1-[3-(pent-3-yn-1-yloxy)phenyl]propan-1-one

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 20℃; Mitsunobu Displacement; Inert atmosphere; Sealed tube;	80%

: 358-23-6
trifluoromethylsulfonic anhydride

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: 3-propionylphenyl trifluoromethanesulfonate

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 3.5h;	72%

: 29668-61-9
diethyl (1-cyanoethyl)phosphonate

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

A: (E)-3-(3-hydroxyphenyl)-2-methylpent-2-enenitrile

B: (Z)-3-(3-hydroxyphenyl)-2-methylpent-2-enenitrile

Conditions

Conditions	Yield
Stage #1: diethyl (1-cyanoethyl)phosphonate With sodium hydride In tetrahydrofuran at 5℃; for 0.25h; Stage #2: 1-(3-hydroxyphenyl)propan-1-one In tetrahydrofuran at 20℃; for 4h; Concentration; Reagent/catalyst; Time; Temperature; Cooling with ice;	A 42% B 22%

...Expand

: 155255-59-7
4-(4,4-dimethyl-3-(3-hydroxypropyl)-5-oxo-2-thioxo-1-imidazolidinyl) 2-(trifluoromethyl) benzonitrile

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: 4-{4,4-dimethyl-5-oxo-3-[3-(3-propionyl-phenoxy)-propyl]-2-thioxo-imidazolidin-1-yl}-2-trifluoromethyl-benzonitrile

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 4.16667h;	30%

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: 4584-46-7
(2-chloroethyl)dimethylamine hydrochloride

: 1-(3-{[2-(dimethylamino)ethyl]oxy}phenyl)-1-propanone

Conditions

Conditions	Yield
With potassium carbonate In water; acetone for 24h; Heating / reflux;	25%

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: 621-27-2
3-n-propylphenol

Conditions

Conditions	Yield
With molybdenum (IV) sulfide at 275℃; under 73550.8 Torr; Hydrogenation;
With potassium hydroxide; hydrazine In diethylene glycol

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: 100-35-6
2-(diethylamino)ethyl chloride

: 3705-04-2
3'-(2-Diaethylamino-aethoxy)-propiophenon

Conditions

Conditions	Yield
(i) Na, (ii) /BRN= 605300/; Multistep reaction;

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: 23689-31-8
2,4,6-Tribrom-3-propionyl-phenol

Conditions

Conditions	Yield
With bromine

: 64-17-5
ethanol

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

palladium/charcoal: palladium/charcoal

: 621-27-2
3-n-propylphenol

Conditions

Conditions	Yield
Hydrogenation;

...Expand

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: 7664-41-7
ammonia

aqueous KOH: aqueous KOH

Raney nickel: Raney nickel

1-<3-hydroxy-phenyl>-propanol-(1): 1-<3-hydroxy-phenyl>-propanol-(1)

Conditions

Conditions	Yield
Hydrogenation;

...Expand

: 60-29-7
diethyl ether

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

amalgamated aluminium: amalgamated aluminium

3.4-bis-<3-acetoxy-phenyl>-hexanediol-(3.4) of mp: 158-159 degree: 3.4-bis-<3-acetoxy-phenyl>-hexanediol-(3.4) of mp: 158-159 degree

Conditions

Conditions	Yield
und Erhitzen des Reaktionsprodukts mit Acetanhydrid und wenig Pyridin;

...Expand

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

A: 1-(3-hydroxy-4-nitro-phenyl)-propan-1-one

B: 453518-19-9
1-(5-hydroxy-2-nitrophenyl)propan-1-one

Conditions

Conditions	Yield
With nitric acid; acetic acid at 70℃;

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: 708254-67-5
1-[2-amino-5-(2-piperidin-1-yl-ethoxy)-phenyl]-propan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: HNO3; AcOH / 70 °C 2: K2CO3 / dimethylformamide / 3 h / 80 °C 3: Fe; aq. HCl / ethanol; acetic acid / 0.25 h / Heating View Scheme

: 13103-80-5
1-(3-hydroxyphenyl)propan-1-one

: 708254-65-3
1-[2-nitro-5-(2-piperidin-1-yl-ethoxy)-phenyl]-propan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HNO3; AcOH / 70 °C 2: K2CO3 / dimethylformamide / 3 h / 80 °C View Scheme

3'-Hydroxypropiophenone Specification

The 3'-Hydroxypropiophenone, with the CAS registry number 13103-80-5, is also known as NSC63366. Its EINECS registry number is 236-027-1. This chemical's molecular formula is C₉H₁₀O₂ and molecular weight is 150.1745. Its IUPAC name is called 1-(3-hydroxyphenyl)propan-1-one.

Physical properties of 3'-Hydroxypropiophenone: (1)ACD/LogP: 1.92; (2)ACD/LogD (pH 5.5): 1.92; (3)ACD/LogD (pH 7.4): 1.91; (4)ACD/BCF (pH 5.5): 16.99; (5)ACD/BCF (pH 7.4): 16.65; (6)ACD/KOC (pH 5.5): 264.3; (7)ACD/KOC (pH 7.4): 259.09; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 42.79 cm³; (13)Molar Volume: 135.9 cm³; (14)Surface Tension: 42.6 dyne/cm; (15)Density: 1.104 g/cm³; (16)Flash Point: 121.4 °C; (17)Enthalpy of Vaporization: 54.94 kJ/mol; (18)Boiling Point: 288.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00131 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(=O)C1=CC(=CC=C1)O
(2)InChI: InChI=1S/C9H10O2/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3
(3)InChIKey: YXOGDBMOFMQLEU-UHFFFAOYSA-N

Product Name

3'-Hydroxypropiophenone

Synthetic route

3'-Hydroxypropiophenone Specification

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