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| CAS No.: | 104-97-2 |
|---|---|
| Name: | Cyclopentylpropionyl chloride |
| Article Data: | 23 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C8H13ClO |
| Molecular Weight: | 160.644 |
| Synonyms: | Cyclopentylpropionyl Chloride;Cyclopentanepropionylchloride (8CI);3-Cyclopentanepropionyl chloride;3-Cyclopentylpropanoylchloride;3-Cyclopentylpropionic acid chloride;3-Cyclopentylpropionyl chloride; |
| EINECS: | 203-257-9 |
| Density: | 1.062 g/cm3 |
| Boiling Point: | 199.499 °C at 760 mmHg |
| Flash Point: | 84.444 °C |
| Appearance: | light yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-37 |
| Safety: | 26-36/37/39-45-27 |
| Transport Information: | UN 3265 |
| PSA: | 17.07000 |
| LogP: | 2.72220 |
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| Conditions | Yield |
|---|---|
| With thionyl chloride In toluene Heating; | 100% |
| With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 23℃; | 100% |
| With pyridine; thionyl chloride for 5h; Reflux; | 83.85% |
| Conditions | Yield |
|---|---|
| In dichloromethane |
- 104-97-2
cyclopentanepropanoyl chloride
- 99862-34-7
N'-(4-bromobenzyl)-N,N-dimethylethane-1,2-diamine
- 864741-96-8
N-(4-bromo-benzyl)-3-cyclopentyl-N-(2-dimethylamino-ethyl)-propionamide
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane | 100% |
- 104-97-2
cyclopentanepropanoyl chloride
- 90719-32-7
(S)-4-Benzyl-2-oxazolidinone
| Conditions | Yield |
|---|---|
| Stage #1: (S)-4-Benzyl-2-oxazolidinone With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Stage #2: cyclopentanepropanoyl chloride In tetrahydrofuran; hexane at -78 - 20℃; Stage #3: With water; ammonium chloride In tetrahydrofuran; hexane | 100% |
| Stage #1: (S)-4-Benzyl-2-oxazolidinone With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: cyclopentanepropanoyl chloride In tetrahydrofuran; hexane at -78 - 20℃; | 100% |
| Stage #1: (S)-4-Benzyl-2-oxazolidinone With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere; Stage #2: cyclopentanepropanoyl chloride In tetrahydrofuran; hexane at -78 - 20℃; for 1h; Inert atmosphere; | 90% |
| Conditions | Yield |
|---|---|
| With pyridine; dmap In dichloromethane at 0 - 20℃; Inert atmosphere; | 100% |
- 123-75-1
pyrrolidine
- 104-97-2
cyclopentanepropanoyl chloride
- 544683-75-2
3-cyclopentyl-1-(pyrrolidin-1-yl)propan-1-one
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 20℃; for 14h; Inert atmosphere; | 100% |
| With triethylamine In dichloromethane at 0 - 20℃; for 14h; Inert atmosphere; | 100% |
- 77943-39-6
4-methyl-5-phenyloxazolidin-2-one
- 104-97-2
cyclopentanepropanoyl chloride
- 944385-34-6
(4R,5S)-3-(3-cyclopentylpropanoyl)-4-methyl-5-phenyloxazolidin-2-one
| Conditions | Yield |
|---|---|
| With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃; for 1.5h; | 99% |
| Conditions | Yield |
|---|---|
| With dmap; triethylamine In dichloromethane at 20℃; for 1h; Inert atmosphere; | 99% |
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at 20℃; for 3h; | 97% |
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0℃; Inert atmosphere; | 97% |
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Specification
This chemical is called Cyclopentanepropanoylchloride, and its systematic name is 3-Cyclopentylpropionyl chloride. With the molecular formula of C8H13ClO, its CAS registry number of this chemical is 104-97-2. Additionally, it should be sealed in the cool and dry place, away from oxides, acid, alkali and active metal.
Other characteristics of the Cyclopentanepropanoylchloride can be summarised as followings: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.02; (4)ACD/LogD (pH 7.4): 3.02; (5)ACD/BCF (pH 5.5): 115.23; (6)ACD/BCF (pH 7.4): 115.23; (7)ACD/KOC (pH 5.5): 1040.62; (8)ACD/KOC (pH 7.4): 1040.62; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 41.89 cm3; (15)Molar Volume: 151.2 cm3; (16)Polarizability: 16.6×10-24cm3; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 1.061 g/cm3; (19)Flash Point: 84.4 °C; (20)Enthalpy of Vaporization: 43.57 kJ/mol; (21)Boiling Point: 199.5 °C at 760 mmHg; (22)Vapour Pressure: 0.34 mmHg at 25°C.
Uses of this chemical: The Cyclopentanepropanoylchloride could react with benzene, and obtain the 3-Cyclopentylpropiophenon. This reaction needs the reagent of AlCl3, and the solvent of CH2Cl2. The yield is 92 %. In addition, this reaction should be taken for 18 hours.
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You can still convert the following datas into molecular structure:
1.SMILES: O=C(Cl)CCC1CCCC1
2.InChI: InChI=1/C8H13ClO/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2
3.InChIKey:SZQVEGOXJYTLLB-UHFFFAOYAV