Products Categories
CAS No.: | 102-16-9 |
---|---|
Name: | BENZYL PHENYLACETATE |
Article Data: | 132 |
Molecular Structure: | |
Formula: | C15H14O2 |
Molecular Weight: | 226.275 |
Synonyms: | BENZYL PHENYLACETATE;Phenylacetic Acid Benzyl Ester;benzyl 2-phenylacetate; |
EINECS: | 203-008-4 |
Density: | 1.147 g/cm3 |
Melting Point: | 51-52 °C |
Boiling Point: | 358.3 °C at 760 mmHg |
Flash Point: | 255.3 °C |
Solubility: | 18.53mg/L at 25℃ |
Appearance: | Clear colorless liquid with a honey-like odor |
Hazard Symbols: | N |
Risk Codes: | 50/53 |
Safety: | 60-61 |
PSA: | 26.30000 |
LogP: | 2.97250 |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; | 100% |
With samarium In acetonitrile at 70℃; for 0.0333333h; | 92% |
With triethylamine In dichloromethane at 20℃; for 12h; | 70.1% |
Conditions | Yield |
---|---|
With potassium carbonate In acetone at 60℃; | 100% |
With potassium carbonate In acetone Heating; | 99% |
With hydrogen fluoride; mercury(II) oxide In 1,2-dichloro-ethane at 80℃; for 1h; | 79% |
Conditions | Yield |
---|---|
With glucose-diphenylaminium tosylate-derived carbon solid acid (GDTCSA) In n-heptane at 80℃; for 1h; | 99% |
With monoammonium 12-tungstophosphate for 12h; Heating; | 98% |
With [bis(acetoxy)iodo]benzene; triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 25℃; for 16h; Mitsunobu reaction; | 97% |
Conditions | Yield |
---|---|
With C16H25N3O2S In n-heptane for 48h; Reflux; Molecular sieve; Inert atmosphere; | 99% |
With 1,3-bis(3,5-bis(trifluoro-ethyl)phenyl)thiourea; 4-pyrrolidin-1-ylpyridine In octane for 6h; Reflux; | 98% |
With SO3H and NH2+ functional carbon-based solid acid at 80℃; for 6h; | 92% |
benzyl 2-hydroxy-2-phenylacetate
benzyl 2-phenylacetate
Conditions | Yield |
---|---|
Stage #1: benzyl 2-hydroxy-2-phenylacetate With dmap; triethylamine; chlorophosphoric acid diphenyl ester In tetrahydrofuran at 20℃; Stage #2: With dichloro bis(acetonitrile) palladium(II); sodium tetrahydroborate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In tetrahydrofuran; 1,2-dimethoxyethane at 75℃; | 99% |
2,6-dimethylpyridine
phenylacetic acid
2-chloro-1-methyl-pyridinium iodide
benzyl 2-phenylacetate
Conditions | Yield |
---|---|
With benzyl alcohol In dichloromethane | 98% |
phenylacetic acid
2-chloro-1-methyl-pyridinium iodide
benzyl 2-phenylacetate
Conditions | Yield |
---|---|
With tributyl-amine; benzyl alcohol In diethyl ether | 97% |
Conditions | Yield |
---|---|
With tributyl-amine; benzyl alcohol In dichloromethane | 97% |
3-(2-phenylacetyl)-1,3-oxazolidin-2-one
benzyl alcohol
benzyl 2-phenylacetate
Conditions | Yield |
---|---|
lanthanum(III) iodide In tetrahydrofuran Ambient temperature; | 95% |
Conditions | Yield |
---|---|
With tributyl-amine; benzyl alcohol In dichloromethane | 95% |
The Benzyl phenylacetate is an organic compound with the formula C15H14O2. The systematic name of this chemical is 3,3-diphenylpropanoic acid. With the CAS registry number 102-16-9, it is also named as 3,3-Diphenylpropanoate. The product's categories are A-B; Alphabetical Listings; Flavors and Fragrances.
Physical properties about Benzyl phenylacetate are: (1)ACD/LogP: 3.39; (2)ACD/LogD (pH 5.5): 2.3; (3)ACD/LogD (pH 7.4): 0.5; (4)ACD/BCF (pH 5.5): 18.12; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 136.14; (7)ACD/KOC (pH 7.4): 2.16; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.588; (13)Molar Refractivity: 66.4 cm3; (14)Molar Volume: 197.2 cm3; (15)Polarizability: 26.32×10-24cm3; (16)Surface Tension: 47.7 dyne/cm; (17)Density: 1.147 g/cm3; (18)Flash Point: 255.3 °C; (19)Enthalpy of Vaporization: 63.71 kJ/mol; (20)Boiling Point: 358.3 °C at 760 mmHg; (21)Vapour Pressure: 9.31E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by phenylmethanol and phenylacetic acid. This reaction will need reagent TsOH*H2O. The reaction time is 15 hours at ambient temperature. The yield is about 76%.
Uses of Benzyl phenylacetate: it can be used to produce phenylacetic acid at temperature of 100 °C. This reaction is a kind of debenzylation. It will need reagent anisole, scandium(III) tris(triflyl)methide with reaction time of 30 min. The yield is about 100%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C15H14O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)
(3)InChIKey: BZQGAPWJKAYCHR-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C15H14O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)
(5)Std. InChIKey: BZQGAPWJKAYCHR-UHFFFAOYSA-N