2-Ethyl-1,3-cyclopentanedione supplier

Name
2-Ethyl-1,3-cyclopentanedione
EINECS 212-512-3
CAS No. 823-36-9
Article Data39
CAS DataBase
Density 1.057 g/cm³
Solubility
Melting Point 172-175 °C
Formula C₇H₁₀O₂
Boiling Point 232.9 °C at 760 mmHg
Molecular Weight 126.155
Flash Point 84.8 °C
Transport Information
Appearance off-white to yellow-beige crystalline powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Ethylcyclopentane-1,3-dione;UNII-91A82TE3OS;1,3-Cyclopentanedione, 2-ethyl-;
PSA 34.14000
LogP 0.94460

Synthetic route

: 3859-39-0
2-acetylcyclopentane-1,3-dione

: 823-36-9
2-ethyl-1,3-cyclopentanedione

Conditions

Conditions	Yield
With triethylsilane; boron trifluoride diethyl etherate In trifluoroacetic acid Ambient temperature;	96%
With hydrogenchloride; sodium cyanoborohydride In tetrahydrofuran	75%
With hydrogenchloride; sodium cyanoborohydride In tetrahydrofuran at 20℃;	75%

: 3859-41-4
1,3-cyclopentadione

: 75-07-0
acetaldehyde

A: 823-36-9
2-ethyl-1,3-cyclopentanedione

B: 1093646-55-9
C13H16O4

Conditions

Conditions	Yield
With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; L-proline In dichloromethane at 25℃; for 0.25h;	A 90% B 10%

...Expand

: 3859-41-4
1,3-cyclopentadione

: 75-07-0
acetaldehyde

: 823-36-9
2-ethyl-1,3-cyclopentanedione

Conditions

Conditions	Yield
With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; L-proline In dichloromethane at 20℃; for 1h; Inert atmosphere;	75%
With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; L-proline In dichloromethane at 20℃; for 48h;

: 4505-53-7
3-ethyl-cyclopentane-1,2,4-trione

: 823-36-9
2-ethyl-1,3-cyclopentanedione

Conditions

Conditions	Yield
(i) semicarbazide*HCl, NaOAc, aq. EtOH, (ii) NaOH, HOCH2CH2OH; Multistep reaction;

: 125113-33-9
2-(1-Ethoxy-propyl)-2-trimethylsilanyloxy-cyclobutanone

: 823-36-9
2-ethyl-1,3-cyclopentanedione

Conditions

Conditions	Yield
With Nafion-H; trifluoroacetic acid at 85℃; for 10h; Yield given;

: 2-(Diphenylmethyl)-2-ethyl-1,3-cyclopentandion

A: 823-36-9
2-ethyl-1,3-cyclopentanedione

B: 101-81-5
Diphenylmethane

Conditions

Conditions	Yield
With 9,10-dihydroanthracene In 1,3,5-trimethyl-benzene at 210℃; Kinetics; Rate constant; different temperatures; ΔG(excit.)300, ΔH(excit.), ΔS(excit.);	A n/a B 88 % Chromat.

: 17082-61-0
1,2-bis(trimethylsiloxy)cyclobutene

: 4744-10-9
dimethoxypropane

: 823-36-9
2-ethyl-1,3-cyclopentanedione

Conditions

Conditions	Yield
Stage #1: 1,2-bis(trimethylsiloxy)cyclobutene; dimethoxypropane With boron trifluoride diethyl etherate In dichloromethane at -78 - 20℃; for 4h; Stage #2: With trifluoroacetic acid for 24h; Heating; Further stages.;

: 4933-67-9
(3-ethyl-2,4,5-trioxo-cyclopentyl)-glyoxylic acid ethyl ester

: 823-36-9
2-ethyl-1,3-cyclopentanedione

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aq. HCl / Heating 2: (i) semicarbazide*HCl, NaOAc, aq. EtOH, (ii) NaOH, HOCH2CH2OH View Scheme

: 107-87-9
2-Pentanone

PCl3Br2: PCl3Br2

: 823-36-9
2-ethyl-1,3-cyclopentanedione

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: Na / ethanol 2: aq. HCl / Heating 3: (i) semicarbazide*HCl, NaOAc, aq. EtOH, (ii) NaOH, HOCH2CH2OH View Scheme

: 14369-94-9
ethyl 4-oxoheptanoate

: 823-36-9
2-ethyl-1,3-cyclopentanedione

Conditions

Conditions	Yield
With sodium methylate In methanol; 5,5-dimethyl-1,3-cyclohexadiene; water; dimethyl sulfoxide

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 57-14-7
1,1-dimethylhydrazine

: 124948-39-6
2-ethyl-1,3-cyclopentanedione-dimethylhydrazone

Conditions

Conditions	Yield
for 4h; Heating;	99%
With toluene-4-sulfonic acid In benzene Heating;	98%

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 932735-55-2
2-ethyl-3-iodocyclopent-2-en-1-one

Conditions

Conditions	Yield
With iodine; triethylamine; triphenylphosphine In acetonitrile for 8h; Reflux;	93%
With iodine; triethylamine; triphenylphosphine In acetonitrile Heating;	77%

: 1013936-27-0
C11H7F3O3S

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 1013936-43-0
C17H16O2

Conditions

Conditions	Yield
[Cp*RuCl(ν2-SMe)]2 In 1,2-dichloro-ethane at 20℃; for 0.5h;	93%

: 123-75-1
pyrrolidine

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 134622-73-4
2-Ethyl-3-pyrrolidin-1-yl-cyclopent-2-enone

Conditions

Conditions	Yield
With acetic acid; propionic acid In toluene for 6h; Heating;	92%

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 107-18-6
allyl alcohol

: 59949-74-5
2-ethyl-2-(prop-2-enyl)cyclopentane-1,3-dione

Conditions

Conditions	Yield
With Ru(Cp*)(η3-C3H5)(p-CH3C6H5SO3)2 In dichloromethane; acetonitrile at 50℃; for 3h; regioselective reaction;	92%

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 78-81-9
isobutylamine

: 134622-66-5
2-Ethyl-3-isobutylamino-cyclopent-2-enone

Conditions

Conditions	Yield
With acetic acid; propionic acid In toluene for 6h; Heating;	90%

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: S-difluoromethyl-S-phenyl-2,4,6-trimethoxyphenylsulfonium tetrafluoroborate

: 1422736-27-3
3-(difluoromethoxy)-2-ethylcyclopent-2-en-1-one

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 0℃; for 0.333333h;	89%

: 2016-57-1
1-aminodecane

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 134622-69-8
3-Decylamino-2-ethyl-cyclopent-2-enone

Conditions

Conditions	Yield
With acetic acid; propionic acid In toluene for 6h; Heating;	88%

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 107-02-8
acrolein

: 1416969-76-0
3-(1-ethyl-2,5-dioxocyclopentyl)propanal

Conditions

Conditions	Yield
In water at 20℃; for 18h; Inert atmosphere;	87%
In water Inert atmosphere;

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 145472-96-4
ethyl 7-(3-methoxyphenyl)-4-oxo(E)-hept-2-enoate

: 145472-97-5
ethyl 2-(1-ethyl-2,5-dioxocyclopentyl)-7-(3-methoxyphenyl)-3-oxoheptanoate

Conditions

Conditions	Yield
With triethylamine In ethyl acetate for 24h; Heating;	85%

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: C14H19FN2OS*C2H4O2

: 2-fluoro-3-methoxy-18-methyl-8,14-secoestra-1,3,5(10),9(11)-tetraene-14,17-dione

Conditions

Conditions	Yield
In ethanol; water for 168h;	85%

: 110-89-4
piperidine

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 134622-74-5
2-Ethyl-3-piperidin-1-yl-cyclopent-2-enone

Conditions

Conditions	Yield
With acetic acid; propionic acid In toluene for 6h; Heating;	84%

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: C15H15F2S(1+)*BF4(1-)

: 1422736-27-3
3-(difluoromethoxy)-2-ethylcyclopent-2-en-1-one

Conditions

Conditions	Yield
With potassium carbonate In water at 20℃; for 2h;	84%

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 101387-21-7
ethyl,3-oxo-5-tetrahydropyranoxy-hexyl sulfoxide

: 101387-22-8
2-ethyl-2-(3'-oxo-5'-tetrahydropyranoxy-)-hexyl-1,3-cyclopentanedione

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran for 24h; Heating;	83%

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 1395062-13-1
S-bromodifluoromethyl-S-phenyl-2,3,4,5-tetramethylphenylsulfonium triflate

: 1422736-27-3
3-(difluoromethoxy)-2-ethylcyclopent-2-en-1-one

Conditions

Conditions	Yield
Stage #1: 2-ethylcyclopentane-1,3-dione With 1-ethyl-2,2,4,4,4-pentakis(dimethylamino)-2λ5,4λ5-catenadi(phosphazene) In dichloromethane at 0℃; for 0.5h; Inert atmosphere; Stage #2: S-bromodifluoromethyl-S-phenyl-2,3,4,5-tetramethylphenylsulfonium triflate In dichloromethane at 0℃; for 1h; Inert atmosphere; regioselective reaction;	82%

: 383-62-0
ethyl 2-chloro-2,2-difluoroacetate

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 1422736-27-3
3-(difluoromethoxy)-2-ethylcyclopent-2-en-1-one

Conditions

Conditions	Yield
With sodium hydroxide In N,N-dimethyl-formamide at 60℃; for 7h; Sealed tube; Inert atmosphere;	82%

: 1629-60-3
1-hexene-3-one

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 77814-26-7
2-Ethyl-2-(3-oxohexyl)cyclopentane-1,3-dione

Conditions

Conditions	Yield
With potassium hydroxide In methanol for 6h; Heating;	77%

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 124-40-3
dimethyl amine

: 134622-72-3
3-Dimethylamino-2-ethyl-cyclopent-2-enone

Conditions

Conditions	Yield
With acetic acid; propionic acid In toluene for 6h; Heating;	77%

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 55985-67-6
3-(2,4-Dimethoxy-phenyl)-5-methoxy-pent-1-en-3-ol

: 114506-69-3
2-ethyl-2-<5-methoxy-3-(2,4-dimethoxyphenyl)pent-2-enyl>cyclopentane-1,3-dione

Conditions

Conditions	Yield
With N-benzyl-trimethylammonium hydroxide In xylene Heating;	76%

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 101750-87-2
3-oxo-5-phenylthio-amyl mesylate

: 101750-88-3
2-ethyl-2-(3'-oxo-5'-phenylthio-amyl)-cyclopentane-1,3-dione

Conditions

Conditions	Yield
With triethylamine; hydroquinone In tetrahydrofuran for 14h; Heating;	75%

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 106-95-6
allyl bromide

A: 3-Allyloxy-2-ethyl-cyclopentanone

B: 59949-74-5
2-ethyl-2-(prop-2-enyl)cyclopentane-1,3-dione

Conditions

Conditions	Yield
With sodium hydroxide In water at 60℃; for 10h;	A n/a B 75%
With sodium hydroxide In water at 60℃; for 10h; Yields of byproduct given;

...Expand

: 26825-94-5
10-bromodecanoic acid methyl ester

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: methyl 10-(2-ethyl-3-oxocyclopent-1-enyloxy)decanoate

Conditions

Conditions	Yield
With sodium hydride In dimethyl sulfoxide at 20℃; for 24h;	74%

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 56475-35-5
5-Methoxy-3-(4-methoxy-phenyl)-pent-1-en-3-ol

: 114506-70-6
2-ethyl-2-<5-methoxy-3-(p-methoxyphenyl)pent-2-enyl>cyclopentane-1,3-dione

Conditions

Conditions	Yield
With N-benzyl-trimethylammonium hydroxide In xylene Heating;	73%

: 2-{2-[(S)-7-Methoxy-2-methyl-chroman-(4E)-ylidene]-ethyl}-isothiourea; compound with acetic acid

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 7,18-dimethyl-3-methoxy-6-oxa-8(14)-seko-estra-1,3,5(10),9(11)-tetraene-14,17-dione

Conditions

Conditions	Yield
In ethanol; water at 25℃; for 48h;	71.6%

: 110-91-8
morpholine

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 134622-75-6
2-Ethyl-3-morpholin-4-yl-cyclopent-2-enone

Conditions

Conditions	Yield
With acetic acid; propionic acid In toluene for 6h; Heating;	71%

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 106-96-7
propargyl bromide

A: 2-Ethyl-3-prop-2-ynyloxy-cyclopentanone

B: 71450-35-6
2-ethyl-2-(prop-2-ynyl)cyclopentane-1,3-dione

Conditions

Conditions	Yield
With sodium hydroxide In water at 60℃; for 7.5h;	A n/a B 70%

...Expand

: 823-36-9
2-ethyl-1,3-cyclopentanedione

: 2,2‐difluoro‐2‐(triphenylphosphonio)acetate

: 1422736-27-3
3-(difluoromethoxy)-2-ethylcyclopent-2-en-1-one

Conditions

Conditions	Yield
In para-xylene at 60℃; for 3h; Schlenk technique; Inert atmosphere;	67%

2-Ethyl-1,3-cyclopentanedione Specification

The 2-Ethyl-1,3-cyclopentanedione, with the CAS registry number 823-36-9, is also known as 1,3-Cyclopentanedione, 2-ethyl-. It belongs to the product categories of Miscellaneous; Ketone. Its EINECS number is 212-512-3. This chemical's molecular formula is C₇H₁₀O₂ and molecular weight is 126.15. What's more, its systematic name is 2-ethylcyclopentane-1,3-dione. When using it, you must avoid contact with eyes. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from strong oxidants. It is used as a drug intermediate.

Physical properties of 2-Ethyl-1,3-cyclopentanedione are: (1)ACD/LogP: -0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.25; (4)ACD/LogD (pH 7.4): -0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.41; (8)ACD/KOC (pH 7.4): 17.41; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 32.64 cm³; (15)Molar Volume: 119.2 cm³; (16)Polarizability: 12.94×10^-24cm³; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 1.057 g/cm³; (19)Flash Point: 84.8 °C; (20)Enthalpy of Vaporization: 46.96 kJ/mol; (21)Boiling Point: 232.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0574 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-acetylcyclopentane-1,3-dione at the ambient temperature. This reaction will need reagents boron trifluoride etherate, triethylsilane and solvent trifluoroacetic acid. The yield is about 96%.

2-Ethyl-1,3-cyclopentanedione can be prepared by 2-acetylcyclopentane-1,3-dione at the ambient temperature

Uses of 2-Ethyl-1,3-cyclopentanedione: it can be used to produce 2-ethyl-3-pyrrolidin-1-yl-cyclopent-2-enone by heating. It will need reagent propanoic acid and solvent toluene with the reaction time of 6 hours. The yield is about 92%.

2-Ethyl-1,3-cyclopentanedione can be used to produce 2-ethyl-3-pyrrolidin-1-yl-cyclopent-2-enone by heating

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCC(=O)C1CC
(2)Std. InChI: InChI=1S/C7H10O2/c1-2-5-6(8)3-4-7(5)9/h5H,2-4H2,1H3
(3)Std. InChIKey: YDFBIBUYOUFJMR-UHFFFAOYSA-N

Product Name

2-Ethyl-1,3-cyclopentanedione

Synthetic route

2-Ethyl-1,3-cyclopentanedione Specification

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