benzoic acid (3-iodopropyl) ester
propyl benzoate
Conditions | Yield |
---|---|
With 2,6-dimethylpyridine; air; phenylsilane; In(OAc)3 In ethanol at 20℃; for 1.5h; | 100% |
Conditions | Yield |
---|---|
With tri(2-furyl)germane; triethyl borane In tetrahydrofuran at 20℃; for 2h; Reduction; | 99% |
With tri(2-furyl)germane; triethyl borane In tetrahydrofuran; hexane at 20℃; for 2h; | 99% |
With air; triethyl borane; di-n-butylchlorogermane In tetrahydrofuran; hexane at 0 - 20℃; for 1h; | 99% |
Conditions | Yield |
---|---|
With alumina methanesulfonic acid at 80℃; for 0.133333h; Microwave irradiation; | 98% |
With 1,3-benzothiazol-3-ium methanesulfonate at 110℃; for 8h; | 96.1% |
With pyridine for 0.5h; Ambient temperature; | 94% |
Conditions | Yield |
---|---|
With triethylamine at 80℃; for 16h; Schlenk technique; Inert atmosphere; | 95% |
With 1,8-diazabicyclo[5.4.0]undec-7-ene at 80℃; for 4h; | 95% |
With 1,8-diazabicyclo[5.4.0]undec-7-ene at 80℃; under 760.051 Torr; for 6h; | 93% |
Conditions | Yield |
---|---|
With N,N,N',N'',N'''-pentamethyldiethylenetriamine In neat (no solvent) at 20 - 25℃; for 12h; | 94% |
With triethylamine In water; acetonitrile at 20℃; | 76% |
With magnesium hydroxide |
Conditions | Yield |
---|---|
With Oxone at 20℃; for 18h; | 94% |
With perchloric acid; sodium percarbonate; vanadia for 1h; Cooling; | 88% |
With tetrabutyl ammonium fluoride In acetonitrile for 5h; Electrochemical reaction; | 85% |
Conditions | Yield |
---|---|
With 1,1'-(hexane-1,6-diyl)bis(1,8-diazabicyclo[5.4.0]undec-7-enium) dichlorine In ethanol; water at 70℃; for 2h; Green chemistry; | 93% |
Conditions | Yield |
---|---|
With 3,3'-(2,2'-(hexane-1,6-diylbis(azanediyl))bis(2-oxoethane-2,1-diyl))bis(1-propyl-1H-benzo[d]imidazol-3-ium) chloride; triethylamine at 60℃; Reagent/catalyst; Temperature; Time; | 91% |
With tetrabutylammomium bromide; potassium carbonate In water; benzene for 6h; Heating; | 84% |
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane for 0.133333h; | 90% |
With tetralin at 150℃; | |
With tetrabutyl ammonium fluoride; triethylamine In N,N-dimethyl-formamide Mechanism; | |
With triethylamine In dichloromethane at 20℃; for 12h; |
Conditions | Yield |
---|---|
at 20℃; for 3h; UV-irradiation; | 90% |
With C75H101BCoF2N8O14(1+)*ClO4(1-); N-ethyl-N,N-diisopropylamine for 24h; Irradiation; | 76% |
Product distribution; Mechanism; Irradiation; liquid beam-mltiphoton ionization technique (focused laser 274 nm); intermediates were determined by MS; | |
With sulfuric acid | |
With heptamethyl cobyrinate perchlorate; tetrabutylammonium perchlorate at 20℃; Electrolysis; | 33 %Chromat. |
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 30℃; for 0.333333h; Ionic liquid; | 90% |
Conditions | Yield |
---|---|
With pyridine; ferric(III) bromide; oxygen In chlorobenzene at 130℃; for 9h; Sealed tube; | 90% |
propan-1-ol
2-(dimethyl(oxo)-λ6-sulfaneylidene)-1-phenylethan-1-one
propyl benzoate
Conditions | Yield |
---|---|
at 120℃; for 40h; Sealed tube; | 90% |
Conditions | Yield |
---|---|
With hydrogenchloride; iron(III) chloride hexahydrate In hexane; water at 80℃; for 14h; | 88% |
With cerium(IV) oxide In 1,3,5-trimethyl-benzene at 165℃; for 22h; Inert atmosphere; Sealed tube; | 85% |
With 2-[3,5-bis(trifluoromethyl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane; scandium tris(trifluoromethanesulfonate) for 24h; Reagent/catalyst; Reflux; Inert atmosphere; Schlenk technique; | 88 %Spectr. |
propan-1-ol
1-benzoyl-2-(p-tosyl)hydrazine
A
propyl benzoate
B
propyl 4-methylbenzenesulfinate
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid Heating; | A 87% B 82% |
Conditions | Yield |
---|---|
With 2-Nitrobenzenesulfonyl chloride In acetonitrile at -25℃; for 7h; | 87% |
With tert.-butylhydroperoxide; [2,2]bipyridinyl In decane; acetonitrile at 80℃; for 24h; Catalytic behavior; Sealed tube; Green chemistry; chemoselective reaction; | 85% |
Conditions | Yield |
---|---|
With hydrogenchloride; iron(III) chloride hexahydrate In hexane; water at 80℃; for 14h; | 86% |
propan-1-ol
N-benzoyl-N'-mesitylenesulphonylhydrazine
A
propyl benzoate
B
benzoic acid
Conditions | Yield |
---|---|
With CuCl2*2H2O for 3h; Ambient temperature; | A 85% B 15% |
Conditions | Yield |
---|---|
With [2,2]bipyridinyl; bis(1,5-cyclooctadiene)nickel (0) In toluene at 20℃; for 18h; Sealed tube; chemoselective reaction; | 85% |
Conditions | Yield |
---|---|
With lithium hexamethyldisilazane In neat (no solvent) at 0 - 20℃; for 3h; | 85% |
Conditions | Yield |
---|---|
With magnesium bromide In dichloromethane for 48h; Ambient temperature; | 84% |
Conditions | Yield |
---|---|
With dihydrogen peroxide for 5h; Irradiation; | 84% |
With palladium 10% on activated carbon; oxygen; sodium carbonate at 120℃; under 15001.5 Torr; for 1.5h; Microwave irradiation; Green chemistry; | 79% |
With oxygen; potassium carbonate at 90℃; under 750.075 Torr; for 24h; | 79.1% |
Conditions | Yield |
---|---|
With hydrogenchloride; iron(III) chloride hexahydrate In hexane; water at 80℃; for 14h; | 84% |
Conditions | Yield |
---|---|
With dihydrogen peroxide; polystyrene-bound phenylseleninic acid for 8h; Heating; | 83% |
Conditions | Yield |
---|---|
With lithium hexamethyldisilazane In neat (no solvent) at 0 - 20℃; for 3h; | 83% |
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 130℃; for 12h; Sealed tube; | 82% |
Conditions | Yield |
---|---|
With pyridine; ferric(III) bromide; oxygen In chlorobenzene at 130℃; for 9h; Sealed tube; | 82% |
carbon dioxide
phenyltrifluorosilane
1-iodo-propane
propyl benzoate
Conditions | Yield |
---|---|
With cesium fluoride; copper(l) chloride In acetonitrile at 120℃; for 24h; Reagent/catalyst; | 82% |
Conditions | Yield |
---|---|
With oxygen; copper diacetate In acetonitrile at 20 - 120℃; for 24h; Schlenk technique; Sealed tube; | 82% |
Conditions | Yield |
---|---|
With lithium hexamethyldisilazane In neat (no solvent) at 0 - 20℃; for 3h; | 80% |
With chloro-trimethyl-silane for 2h; Heating; | 68% |
With potassium propylate | |
K2CO3 + 5percent Carbowax 6000 at 170℃; under 20 Torr; | 12 % Chromat. |
With fluorapatite-like natural phosphate at 97℃; for 48h; |
Conditions | Yield |
---|---|
With C32H36ClNO2P2Ru; potassium tert-butylate; hydrogen In tetrahydrofuran at 120℃; under 38002.6 Torr; for 12h; Autoclave; Green chemistry; | 99% |
With C30H34Cl2N2P2Ru; potassium methanolate; hydrogen In tetrahydrofuran at 100℃; under 38002.6 - 76005.1 Torr; for 15h; Glovebox; Autoclave; | 95% |
With lithium aluminium tetrahydride In diethyl ether for 1h; Heating; Yield given; |
Conditions | Yield |
---|---|
With potassium hydroxide | 98.1% |
Conditions | Yield |
---|---|
With hydrogen; platinum(II) chloride In ethanol at 60℃; under 750.075 - 1500.15 Torr; for 6h; Reagent/catalyst; Solvent; Temperature; | 98% |
With hydrogen In water at 100℃; under 37503.8 Torr; for 7h; Autoclave; | 94.1% |
Conditions | Yield |
---|---|
With aluminum isopropoxide at 110 - 145℃; under 1 Torr; for 8h; Product distribution / selectivity; | 90% |
at 110 - 145℃; under 1 Torr; for 12h; Product distribution / selectivity; | 48% |
Conditions | Yield |
---|---|
With iron(III) chloride In acetonitrile at 80℃; for 1.5h; Sealed tube; | 90% |
With zirconocene dichloride In toluene at 110℃; for 20h; | 32% |
Conditions | Yield |
---|---|
With titanium(IV) isopropylate Heating; Fluorinert Fluid, Dean-Stark trap; | 87% |
The Benzoic acid, propylester, with the CAS registry number 2315-68-6, is also known as n-Propyl benzoate. It belongs to the product categories of Organics; C10 to C11; Carbonyl Compounds; Esters. Its EINECS registry number is 219-020-8. This chemical's molecular formula is C10H12O2 and molecular weight is 164.2. Its IUPAC name is called propyl benzoate. When you are using this chemical, please be cautious about it. You must avoid contacting it with skin and eyes.
Physical properties of Benzoic acid, propylester: (1)ACD/LogP: 3.26; (2)ACD/LogD (pH 5.5): 3.26; (3)ACD/LogD (pH 7.4): 3.26; (4)ACD/BCF (pH 5.5): 176.43; (5)ACD/BCF (pH 7.4): 176.43; (6)ACD/KOC (pH 5.5): 1411.58; (7)ACD/KOC (pH 7.4): 1411.58; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.501; (11)Molar Refractivity: 47.29 cm3; (12)Molar Volume: 160.3 cm3; (13)Surface Tension: 35.6 dyne/cm; (14)Density: 1.024 g/cm3; (15)Flash Point: 97.2 °C; (16)Enthalpy of Vaporization: 46.81 kJ/mol; (17)Boiling Point: 231.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0625 mmHg at 25°C.
Preparation: this chemical can be prepared by benzaldehyde and propan-1-ol. This reaction will need reagent vanadium pentoxide, sodium percarbonate and perchloric acid. The yield is about 88%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCOC(=O)C1=CC=CC=C1
(2)InChI: InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
(3)InChIKey: UDEWPOVQBGFNGE-UHFFFAOYSA-N
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