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CAS No.: | 766-00-7 |
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Name: | 2-CYCLOPENTYLETHANOL |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C7H14O |
Molecular Weight: | 114.188 |
Synonyms: | 2-Cyclopentaneethanol;2-Cyclopentylethanol;2-Cyclopentylethyl alcohol; |
EINECS: | 212-156-9 |
Density: | 0.922g/cm3 |
Boiling Point: | 174.4 °C at 760 mmHg |
Flash Point: | 70.4 °C |
Safety: | 23-24/25 |
PSA: | 20.23000 |
LogP: | 1.55900 |
Conditions | Yield |
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Stage #1: 2-cyclopent-2-enyl-ethanol With pyridinium p-toluenesulfonate In 1,2-dichloro-ethane at 80℃; for 20h; Stage #2: With triethylamine In dichloromethane at 20℃; for 6h; Stage #3: With trifluoroacetic acid In methanol; dichloromethane at 140℃; for 0.0666667h; microwave irradiation; Further stages.; | 100% |
With palladium Hydrogenation; | |
With platinum Hydrogenation; |
Conditions | Yield |
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With dimethylsulfide borane complex In tetrahydrofuran; toluene at 0 - 20℃; for 16h; | 90% |
With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 13h; Deacetylation; | 86% |
With lithium aluminium tetrahydride In tetrahydrofuran 1) 1h, 90 deg C 2) 3h, reflux; | 78% |
Conditions | Yield |
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With diethyl ether at 5℃; |
Conditions | Yield |
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With diethyl ether |
ethyl cyclopentylacetate
2-cyclopentyl-ethanol
Conditions | Yield |
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With ethanol; sodium | |
With lithium aluminium tetrahydride; diethyl ether | |
With lithium aluminium tetrahydride In tetrahydrofuran |
Conditions | Yield |
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With ethanol; sodium |
Conditions | Yield |
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(i) KOtBu, tBuOH, (ii) /BRN= 102378/, (iii) H2, PtO2; Multistep reaction; |
Conditions | Yield |
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With hydrogen |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: H2 / 5percent Pd/C / ethanol / 760 Torr 2: LiAlH4 / tetrahydrofuran View Scheme |
Conditions | Yield |
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Multi-step reaction with 3 steps 1: NaH / benzene 2: H2 / 5percent Pd/C / ethanol / 760 Torr 3: LiAlH4 / tetrahydrofuran View Scheme |
The Cyclopentaneethanol, with CAS registry number 766-00-7, has the systematic name of 2-cyclopentylethanol. Besides this, it is also called 2-Cyclopentylethan-1-ol. And the chemical formula of this chemical is C7H14O. What's more, its EINECS is 212-156-9. When use this chemical, do not breathe vapour and avoid contact with skin and eyes.
Physical properties of Cyclopentaneethanol: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.72; (6)ACD/BCF (pH 7.4): 14.72; (7)ACD/KOC (pH 5.5): 238.51; (8)ACD/KOC (pH 7.4): 238.51; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 33.92 cm3; (15)Molar Volume: 123.7 cm3; (16)Polarizability: 13.44×10-24cm3; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 0.922 g/cm3; (19)Flash Point: 70.4 °C; (20)Enthalpy of Vaporization: 47.81 kJ/mol; (21)Boiling Point: 174.4 °C at 760 mmHg; (22)Vapour Pressure: 0.376 mmHg at 25°C.
Preparation: this chemical can be prepared by cyclopentylacetic acid. This reaction will need reagent LiAlH4 and solvent tetrahydrofuran.
Uses of Cyclopentaneethanol: it can be used to produce (2-bromo-ethyl)-cyclopentane. This reaction will need reagent concentrated aqueous HBr.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCC1CCCC1
(2)InChI: InChI=1/C7H14O/c8-6-5-7-3-1-2-4-7/h7-8H,1-6H2
(3)InChIKey: JEXQWCBPEWHFKC-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H14O/c8-6-5-7-3-1-2-4-7/h7-8H,1-6H2
(5)Std. InChIKey: JEXQWCBPEWHFKC-UHFFFAOYSA-N