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4495-66-3

Basic Information
CAS No.: 4495-66-3
Name: 4-BENZYLOXYPROPIOPHENONE
Article Data: 33
Molecular Structure:
Molecular Structure of 4495-66-3 (4-BENZYLOXYPROPIOPHENONE)
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
Synthetic route
100-39-0

benzyl bromide

70-70-2

4-hydroxypropiophenone

4495-66-3

4-benzyloxypropiophenone

Conditions
ConditionsYield
With potassium carbonate In acetone Heating / reflux;100%
With potassium carbonate In acetone Heating / reflux;100%
With potassium carbonate In acetone Heating / reflux;100%
100-44-7

benzyl chloride

70-70-2

4-hydroxypropiophenone

4495-66-3

4-benzyloxypropiophenone

Conditions
ConditionsYield
With potassium carbonate In acetone for 24h; Reflux;91.5%
With potassium carbonate In acetone Heating;
With sodium hydroxide
87030-16-8

(E)-(benzyloxy)-4-(3-chloroprop-1-enyl)benzene

4495-66-3

4-benzyloxypropiophenone

Conditions
ConditionsYield
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%
35081-45-9

1-<4-(benzyloxy)phenyl>-2-bromo-1-propanone

4495-66-3

4-benzyloxypropiophenone

Conditions
ConditionsYield
With tetraethylammonium perchlorate; triethylamine In ethanol; dimethyl sulfoxide at 20℃; for 4h; Solvent; Electrolysis; Green chemistry;87%
56-93-9

benzyltrimethylammonium chloride

70-70-2

4-hydroxypropiophenone

A

4495-66-3

4-benzyloxypropiophenone

B

121-97-1

4-Methoxypropiophenone

Conditions
ConditionsYield
With potassium carbonate at 150 - 160℃; for 4h;A 75%
B n/a
42790-42-1

4-aza-1-benzylazoniabicyclo<2.2.2>octane chloride

70-70-2

4-hydroxypropiophenone

A

1-(4-(2-(4-benzylpiperazin-1-yl)ethoxy)phenyl)propan-1-one dihydrochloride

B

4495-66-3

4-benzyloxypropiophenone

Conditions
ConditionsYield
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%
141-52-6

sodium ethanolate

100-39-0

benzyl bromide

70-70-2

4-hydroxypropiophenone

4495-66-3

4-benzyloxypropiophenone

Conditions
ConditionsYield
With ethanol
637-27-4

phenyl propionate

4495-66-3

4-benzyloxypropiophenone

Conditions
ConditionsYield
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
70-70-2

4-hydroxypropiophenone

PhCH2X (X=Br or I)

PhCH2X (X=Br or I)

4495-66-3

4-benzyloxypropiophenone

Conditions
ConditionsYield
With potassium carbonate Heating;
87030-16-8

(E)-(benzyloxy)-4-(3-chloroprop-1-enyl)benzene

A

4495-66-3

4-benzyloxypropiophenone

B

470665-13-5

(+/-)-1-(4-benzyloxyphenyl)prop-2-en-1-ol

Conditions
ConditionsYield
With potassium carbonate; phenylboronic acid; [Ru(cyclopentadienyl)(MeCN)3]PF6 In acetonitrile at 20℃; for 1.5h;
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  • 4-Benzyloxypropiophenone  CAS NO.4495-66-3

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Specification

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