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Cas Database |
| Name |
2'-Hydroxy-3-phenylpropiophenone |
EINECS | 222-521-4 |
| CAS No. | 3516-95-8 | Density | 1.15 g/cm3 |
| PSA | 37.30000 | LogP | 3.20770 |
| Solubility | N/A | Melting Point |
36-37 °C(lit.) |
| Formula | C15H14O2 | Boiling Point | 381.1 °C at 760 mmHg |
| Molecular Weight | 226.275 | Flash Point | 162.7 °C |
| Transport Information | N/A | Appearance | Slightly yellow crystals |
| Safety | 26-37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Propiophenone,2'-hydroxy-3-phenyl- (6CI,7CI,8CI);1-(2-Hydroxyphenyl)-3-phenylpropan-1-one;1-(o-Hydroxyphenyl)-3-phenylpropanone-1;2-Hydroxy-b-phenylpropiophenone;2'-Hydroxy-3-phenylpropiophenone;2'-Hydroxydihydrochalcone;b-Phenyl-2-hydroxypropiophenone; |
Article Data | 56 |
2'-Hydroxy-3-phenylpropiophenone Synthetic route
| Conditions | Yield |
|---|---|
| With ammonium formate; palladium on activated charcoal In tetrahydrofuran; methanol at 20℃; for 0.55h; | 99% |
| With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; silica gel In benzene at 70℃; for 4h; | 95% |
| With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate In benzene at 70℃; Rate constant; Product distribution; further reaction conditions; deuterium isotopic effect; | |
| With hydrogen; palladium on activated charcoal In tetrahydrofuran Ambient temperature; | |
| With hydrogen; palladium on activated charcoal In ethyl acetate for 1h; |
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In dichloromethane at 20℃; under 760.051 Torr; for 6h; Catalytic behavior; Time; | 98% |
| With 10% Pd/C; diphenyl sulfide; hydrogen In methanol at 20℃; for 24h; chemoselective reaction; | 97% |
| With palladium 10% on activated carbon; hydrogen In ethanol under 1875.19 Torr; for 0.5h; | 95% |
| Conditions | Yield |
|---|---|
| Stage #1: salicylic acid With tert-butylmagnesium chloride In tetrahydrofuran; toluene at 0℃; for 0.25h; Inert atmosphere; Stage #2: phenethylmagnesium chloride With diisopropylaminomagnesium chloride lithium chloride In tetrahydrofuran; toluene at 0 - 20℃; for 14.25h; Inert atmosphere; Sonication; | 98% |
- 3516-95-8
2'-hydroxy-3-phenylpropiophenone
| Conditions | Yield |
|---|---|
| With acetic acid In tetrahydrofuran; water at 40℃; for 4h; | 89% |
- 38865-40-6
1-(2'-hydroxyphenyl)prop-2-en-1-ol
- 98-80-6
phenylboronic acid
- 3516-95-8
2'-hydroxy-3-phenylpropiophenone
| Conditions | Yield |
|---|---|
| With 2.9-dimethyl-1,10-phenanthroline; palladium diacetate; copper(l) chloride In dimethyl sulfoxide at 50℃; under 760.051 Torr; for 12h; | 89% |
| With 2.9-dimethyl-1,10-phenanthroline; palladium diacetate; silver carbonate In acetonitrile at 60℃; for 24h; regioselective reaction; | 85% |
- 100-42-5
styrene
- 90-02-8
salicylaldehyde
A
- 3516-95-8
2'-hydroxy-3-phenylpropiophenone
B
- 42772-82-7
1-(2-Hydroxyphenyl)-2-phenylpropan-1-one
| Conditions | Yield |
|---|---|
| With potassium phosphate; chloro(1,5-cyclooctadiene)rhodium(I) dimer; (11aR)-(+)-10,11,12,13-tetrahydrodiindeno[7,1-de:1', 7'-fg][1,3,2]dioxaphosphocin-5-bis[(R)-1-phenylethyl]amine In 1,2-dichloro-ethane at 70℃; for 36h; Inert atmosphere; Overall yield = 98 %; | A 87% B n/a |
| Conditions | Yield |
|---|---|
| With aluminium trichloride for 1h; | 84% |
| With aluminum (III) chloride at 100℃; for 1h; Fries Phenol Ester Rearrangement; |
| Conditions | Yield |
|---|---|
| With lithium tert-butoxide In toluene at 110℃; for 12h; Inert atmosphere; | 84% |
| With C61H47N3OP2Ru; potassium hydroxide In toluene at 110℃; for 12h; | 80% |
| With C51H39As2N3O2RuS; sodium hydroxide In toluene at 105℃; for 8h; | 79% |
| With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; potassium hydroxide In tert-Amyl alcohol at 110℃; for 24h; Sealed tube; | 50% |
- 726-26-1
phenyl 3-phenylpropanoate
A
- 3516-95-8
2'-hydroxy-3-phenylpropiophenone
B
- 36941-00-1
1-(4-hydroxyphenyl)-3-phenylpropan-1-one
| Conditions | Yield |
|---|---|
| With methanesulfonic acid; Methanesulfonic anhydride at 65℃; Fries rearrangement; Inert atmosphere; regioselective reaction; | A n/a B 82% |
| Conditions | Yield |
|---|---|
| With 1,10-Phenanthroline; nickel(II) bromide diethylene glycol dimethyl ether; zinc In N,N-dimethyl-formamide at 60℃; for 10h; Inert atmosphere; Sealed tube; | 71% |
2'-Hydroxy-3-phenylpropiophenone Chemical Properties
IUPAC Name: 1-(2-Hydroxyphenyl)-3-phenylpropan-1-one
Systematic of 1-Propanone,1-(2-hydroxyphenyl)-3-phenyl- (CAS NO.3516-95-8): EINECS 222-521-4 ; 1-(2-Hydroxyphenyl)-3-phenylpropan-1-one
CAS NO: 3516-95-8
Molecular Formula of 1-Propanone,1-(2-hydroxyphenyl)-3-phenyl- (CAS NO.3516-95-8): C15H14O2
Molecular Weight: 226.2705
Molecular Structure:
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Melting Point: 36-37 °C
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.6
Molar Refractivity: 67.28 cm3
Molar Volume: 196.6 cm3
Surface Tension: 48.7 dyne/cm
Density of 1-Propanone,1-(2-hydroxyphenyl)-3-phenyl- (CAS NO.3516-95-8): 1.15 g/cm3
Flash Point: 162.7 °C
Enthalpy of Vaporization: 65.39 kJ/mol
Boiling Point: 381.1 °C at 760 mmHg
Vapour Pressure: 2.38E-06 mmHg at 25°C
2'-Hydroxy-3-phenylpropiophenone Uses
1-Propanone,1-(2-hydroxyphenyl)-3-phenyl- (CAS NO.3516-95-8) is used as oyster preservatives.
2'-Hydroxy-3-phenylpropiophenone Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39: Wear suitable gloves and eye/face protection.
WGK Germany: 3
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