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Cyclopentylpropionyl chloride

  • Name Cyclopentylpropionyl chloride
  • EINECS203-257-9
  • CAS No. 104-97-2
  • Density1.062 g/cm3
  • PSA17.07000
  • LogP2.72220
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC8H13ClO
  • Boiling Point199.499 °C at 760 mmHg
  • Molecular Weight160.644
  • Flash Point84.444 °C
  • Transport InformationUN 3265
  • Appearancelight yellow liquid
  • Safety26-36/37/39-45-27
  • Risk Codes34-37
  • Molecular Structure
    Molecular Structure of 104-97-2 (Cyclopentylpropionyl chloride)
  • Hazard SymbolsCorrosiveC
  • SynonymsCorrosiveC
  • Article Data23

Cyclopentylpropionyl chloride Synthetic route

140-77-2

3-cyclopentylpropionic acid

104-97-2

cyclopentanepropanoyl chloride

Conditions
ConditionsYield
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%
79-37-8

oxalyl dichloride

140-77-2

3-cyclopentylpropionic acid

104-97-2

cyclopentanepropanoyl chloride

Conditions
ConditionsYield
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
ConditionsYield
With triethylamine In dichloromethane100%
104-97-2

cyclopentanepropanoyl chloride

90719-32-7

(S)-4-Benzyl-2-oxazolidinone

(4S)-4-benzyl-3-(3-cyclopentylpropanoyl)-1,3-oxazolidin-2-one

Conditions
ConditionsYield
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%
106-44-5

p-cresol

104-97-2

cyclopentanepropanoyl chloride

1616633-30-7

p-tolyl 3-cyclopentylpropanoate

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃; for 1.5h;99%
83-73-8

5,7-diiodo-8-hydroxyquinoline

104-97-2

cyclopentanepropanoyl chloride

C17H17I2NO2

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 20℃; for 1h; Inert atmosphere;99%
104-97-2

cyclopentanepropanoyl chloride

C24H21N5O4

C32H33N5O5

Conditions
ConditionsYield
With pyridine In dichloromethane at 20℃; for 3h;97%
496-15-1

1-indoline

104-97-2

cyclopentanepropanoyl chloride

3-cyclopentyl-1-(indolin-1-yl)propan-1-one

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0℃; Inert atmosphere;97%

Cyclopentylpropionyl chloride 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.

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

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