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CAS No.: | 4495-66-3 |
---|---|
Name: | 4-BENZYLOXYPROPIOPHENONE |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C16H16O2 |
Molecular Weight: | 240.302 |
Synonyms: | 1-(4-Benzyloxyphenyl)propan-1-one;Propiophenone,4'-(benzyloxy)- (7CI,8CI);NSC 41188;p-Benzyloxypropiophenone; |
EINECS: | 224-788-2 |
Density: | 1.082 g/cm3 |
Melting Point: | 99-102 °C |
Boiling Point: | 391.023 °C at 760 mmHg |
Flash Point: | 174.419 °C |
Appearance: | off-white to light beige powder |
Safety: | 24/25 |
PSA: | 26.30000 |
LogP: | 3.85830 |
Conditions | Yield |
---|---|
With potassium carbonate In acetone Heating / reflux; | 100% |
With potassium carbonate In acetone Heating / reflux; | 100% |
With potassium carbonate In acetone Heating / reflux; | 100% |
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 24h; Reflux; | 91.5% |
With potassium carbonate In acetone Heating; | |
With sodium hydroxide |
(E)-(benzyloxy)-4-(3-chloroprop-1-enyl)benzene
4-benzyloxypropiophenone
Conditions | Yield |
---|---|
With potassium carbonate; phenylboronic acid; [Ru(cyclopentadienyl)(MeCN)3]PF6 In acetonitrile at 20℃; for 3h; | 87% |
With cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate; potassium carbonate; phenylboronic acid In acetonitrile at 20℃; for 24h; Inert atmosphere; regioselective reaction; | 87% |
1-<4-(benzyloxy)phenyl>-2-bromo-1-propanone
4-benzyloxypropiophenone
Conditions | Yield |
---|---|
With tetraethylammonium perchlorate; triethylamine In ethanol; dimethyl sulfoxide at 20℃; for 4h; Solvent; Electrolysis; Green chemistry; | 87% |
benzyltrimethylammonium chloride
4-hydroxypropiophenone
A
4-benzyloxypropiophenone
B
4-Methoxypropiophenone
Conditions | Yield |
---|---|
With potassium carbonate at 150 - 160℃; for 4h; | A 75% B n/a |
4-aza-1-benzylazoniabicyclo<2.2.2>octane chloride
4-hydroxypropiophenone
B
4-benzyloxypropiophenone
Conditions | Yield |
---|---|
Stage #1: 4-aza-1-benzylazoniabicyclo<2.2.2>octane chloride; 4-hydroxypropiophenone With potassium carbonate In ethylene glycol at 140℃; for 4h; Stage #2: With hydrogenchloride In water; ethylene glycol | A 54% B 29% |
sodium ethanolate
benzyl bromide
4-hydroxypropiophenone
4-benzyloxypropiophenone
Conditions | Yield |
---|---|
With ethanol |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: AlCl3 / nitrobenzene / 24 h / 30 °C 2: NaOH / H2O / 4 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1: 60 percent / AlCl3 / nitrobenzene / 24 h / 30 °C 2: aq. NaOH View Scheme | |
Multi-step reaction with 2 steps 1.1: trifluorormethanesulfonic acid / 4.5 h / 0 - 20 °C / Inert atmosphere 2.1: potassium carbonate / acetone / 0.5 h / 20 °C / Inert atmosphere 2.2: 20 °C / Reflux; Inert atmosphere View Scheme | |
Multi-step reaction with 2 steps 1.1: trifluorormethanesulfonic acid / 4.5 h / 0 - 20 °C 2.1: potassium carbonate / acetone / 0.5 h / 20 °C 2.2: 4 h / Reflux View Scheme |
Conditions | Yield |
---|---|
With potassium carbonate Heating; |
(E)-(benzyloxy)-4-(3-chloroprop-1-enyl)benzene
A
4-benzyloxypropiophenone
B
(+/-)-1-(4-benzyloxyphenyl)prop-2-en-1-ol
Conditions | Yield |
---|---|
With potassium carbonate; phenylboronic acid; [Ru(cyclopentadienyl)(MeCN)3]PF6 In acetonitrile at 20℃; for 1.5h; |
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The 1-Propanone,1-[4-(phenylmethoxy)phenyl]-, with the CAS registry number 4495-66-3, is also known as 1-(4-(Benzyloxy)phenyl)propan-1-one. It belongs to the product category of Aromatic Propiophenones (Substituted). Its EINECS registry number is 224-788-2. This chemical's molecular formula is C16H16O2 and molecular weight is 240.3. What's more, both its IUPAC name and systematic name are the same which is called 1-(4-Phenylmethoxyphenyl)propan-1-one. It is off-white to light beige powder. When you are dealing with this chemical, you should avoid contacting with skin and eyes.
Physical properties about 1-Propanone,1-[4-(phenylmethoxy)phenyl]- are: (1) ACD/LogP: 3.65; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.654; (4) ACD/LogD (pH 7.4): 3.654; (5) ACD/BCF (pH 5.5): 352.458; (6) ACD/BCF (pH 7.4): 352.458; (7) ACD/KOC (pH 5.5): 2316.457; (8) ACD/KOC (pH 7.4): 2316.457; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.562; (14) Molar Refractivity: 72.08 cm3; (15) Molar Volume: 222.175 cm3; (16) Surface Tension: 40.668 dyne/cm; (17) Density: 1.082 g/cm3; (18) Flash Point: 174.419 °C; (19) Enthalpy of Vaporization: 64.058 kJ/mol; (20) Boiling Point: 391.023 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C; (22) Melting Point: 99-102 °C.
Uses of 1-Propanone,1-[4-(phenylmethoxy)phenyl]-: (1) it is used as intermediates of Ritodrine; (2) it is used to produce other chemicals. For example, it is used to produce 1-(4-Hydroxy-phenyl)-propan-1-one. The reaction occurs with reagent CF3CO2H.
You can still convert the following datas into molecular structure:
(1) SMILES: CCC(=O)c1ccc(cc1)OCc2ccccc2
(2) InChI: InChI=1/C16H16O2/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
(3) InChIKey: IKFGSOJYHVTNDV-UHFFFAOYAP