CAS No.104-97-2,Cyclopentylpropionyl chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	104-97-2
Name:	Cyclopentylpropionyl chloride
Article Data:	23

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

Synthetic route

: 140-77-2
3-cyclopentylpropionic acid

: 104-97-2
cyclopentanepropanoyl chloride

Conditions

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%

: 79-37-8
oxalyl dichloride

: 140-77-2
3-cyclopentylpropionic acid

: 104-97-2
cyclopentanepropanoyl chloride

Conditions

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

Conditions	Yield
With triethylamine In dichloromethane	100%

: 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

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%

: 106-44-5
p-cresol

: 104-97-2
cyclopentanepropanoyl chloride

: 1616633-30-7
p-tolyl 3-cyclopentylpropanoate

Conditions

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

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

Conditions	Yield
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

Conditions	Yield
With dmap; triethylamine In dichloromethane at 20℃; for 1h; Inert atmosphere;	99%

: 104-97-2
cyclopentanepropanoyl chloride

: C24H21N5O4

: C32H33N5O5

Conditions

Conditions	Yield
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

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 AlC_l3, 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