Ethanone,1-(1-pyrrolidinyl)- supplier

Name
1-ACETYLPYRROLIDINE
EINECS
CAS No. 4030-18-6
Article Data66
CAS DataBase
Density 1.019 g/cm³
Solubility Soluble in water
Melting Point
Formula C₆H₁₁NO
Boiling Point 212.1 °C at 760 mmHg
Molecular Weight 113.159
Flash Point 90.8 °C
Transport Information
Appearance
Safety 16
Risk Codes 10
Molecular Structure
Hazard Symbols
Synonyms Pyrrolidine,1-acetyl- (6CI,7CI,8CI,9CI);1-Acetylpyrrolidine;N-Acetylpyrrolidine;
PSA 20.31000
LogP 0.56660

Synthetic route

: 123-75-1
pyrrolidine

: 14310-15-7
1,1-Diphenyl-2-brom-3-acetoxy-1-propen

A: 4030-18-6
N-(acetyl)pyrrolidine

B: 97861-65-9
2-bromo-3,3-diphenyl-2-propen-1-ol

Conditions

Conditions	Yield
tetrakis(triphenylphosphine) palladium(0) at 80℃;	A n/a B 100%

...Expand

: 123-75-1
pyrrolidine

: 124089-63-0
ethyl 2,4-dinitrophenylacetoacetate

A: 4030-18-6
N-(acetyl)pyrrolidine

B: 68084-17-3
α-(2,4-dinitrophenyl)ethyl acetate

Conditions

Conditions	Yield
In chloroform at 20℃; for 24h;	A 100% B n/a

...Expand

: 123-75-1
pyrrolidine

: 60-35-5
acetamide

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
With Iron(III) nitrate nonahydrate In toluene for 24h; Reflux;	100%

: 123-75-1
pyrrolidine

: 108-05-4
vinyl acetate

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
With Cp*2Sm(THF)2 In toluene Ambient temperature;	99%
With potassium hydroxide In water; acetone at 20 - 25℃;	80%

: 123-75-1
pyrrolidine

: 141-78-6
ethyl acetate

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
With carbonylhydrido[6-(di-tert-butylphosphinomethylene)-2-(N,N-diethylaminomethyl)-1,6-dihydropyridine]ruthenium(II) In benzene at 135℃; for 26h; Inert atmosphere;	99%
With zinc borohydride pyridine complex In tetrahydrofuran for 0.25h; Heating;	95%
With copper-manganese spinel oxide In tetrahydrofuran at 80℃; for 1h;	91%
With potassium tert-butylate at 157℃; for 0.05h; microwave irradiation;	69%
With bromopentacarbonylmanganese(I); potassium tert-butylate; N,N-bis-(3-dimethylaminopropyl)amine In toluene at 90℃; Schlenk technique; Sealed tube; Inert atmosphere;	53%

: 1445-45-0
Trimethyl orthoacetate

: 25150-61-2
pyrrolidine hydrochloride

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
for 3h; Reflux;	98%

: 123-75-1
pyrrolidine

: 2033-24-1
cycl-isopropylidene malonate

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
In toluene for 12h; Inert atmosphere; Reflux;	98%

: 201230-82-2
carbon monoxide

: 872-44-6
N,N-dimethylpyrrolidinium iodide

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
With cobalt(II) chloride; sodium sulfite; zinc In 1-methyl-pyrrolidin-2-one at 200℃; under 22502.3 Torr; for 7h; Autoclave;	94.9%
With palladium dichloride In 1-methyl-pyrrolidin-2-one at 190℃; for 8h; Catalytic behavior;

: 18732-60-0
pyrrolidin-1-yl-thioacetamide

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
With hydrogenchloride; sodium nitrite In water at 20℃; for 0.75h;	92%
With silver(I) acetate In dichloromethane Ambient temperature;	80%
With silver(I) acetate In dichloromethane for 3h; Ambient temperature;	80%

: 255846-01-6
(Z)-4-Pyrrolidin-1-yl-pent-3-en-2-one

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
With silica gel for 0.2h; Irradiation;	90%

: 123-75-1
pyrrolidine

: 108-24-7
acetic anhydride

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
ZSM-35 zeolite In acetonitrile for 2.5h; Heating;	88.5%
In dichloromethane at 20℃; for 0.5h;	75%
at 100℃; for 3h; Condensation;	54%

: 123-75-1
pyrrolidine

: 1566-67-2
(Z)-styryl acetate

A: 4030-18-6
N-(acetyl)pyrrolidine

B: 6908-73-2, 13294-34-3
(E)-1-styrylpyrrolidine

Conditions

Conditions	Yield
In ethyl acetate for 0.5h; Ambient temperature;	A n/a B 88%

...Expand

: 123-75-1
pyrrolidine

: 1363906-80-2
1-acetyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidinium tetraphenylborate

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 1h; Inert atmosphere;	88%

: 123-75-1
pyrrolidine

: 927-80-0
1-ethoxyacetylene

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
In toluene at 180℃; for 0.166667h; Flow reactor;	88%

: 123-75-1
pyrrolidine

: 14310-04-4
2-bromocyclohex-2-en-1-yl acetate

A: 4030-18-6
N-(acetyl)pyrrolidine

B: 109380-07-6, 109431-74-5, 122797-27-7, 61426-49-1
2-bromocyclohex-2-en-1-ol

Conditions

Conditions	Yield
bis-triphenylphosphine-palladium(II) chloride at 80℃; for 2h; Yields of byproduct given;	A n/a B 87%
bis-triphenylphosphine-palladium(II) chloride at 80℃; for 2h; Product distribution; var. 2-bromoallyl acetates, other secondary and tertiary cyclic amines;	A n/a B 87%

...Expand

: 123-75-1
pyrrolidine

: 64-19-7
acetic acid

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
ZSM-35 zeolite In acetonitrile for 12h; Heating;	86.8%
With HOBt-6-carboxamidomethyl polystyrene; dicyclohexyl-carbodiimide 1.) CH2Cl2, 25 deg C, 2.) CH2Cl2, 25 deg C, 4 h; Yield given. Multistep reaction;
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide Inert atmosphere;

: 123-75-1
pyrrolidine

: 75-05-8
acetonitrile

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
With Bromotrichloromethane; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate at 20℃; for 11h; Irradiation; Inert atmosphere;	85%
With water In 1,2-dimethoxyethane at 160℃; for 39h; amidation;	66%

: 123-75-1
pyrrolidine

: 141-97-9
ethyl acetoacetate

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
With 4-toluenesulfonyl azide In tetrahydrofuran at 20 - 25℃; for 3h;	85%

: 123-75-1
pyrrolidine

: 75-36-5
acetyl chloride

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
With pyridine In dichloromethane for 1h;	84%
With pyridine In dichloromethane for 1h;	84%
In diethyl ether	79%

: 123-75-1
pyrrolidine

: 76397-53-0
3-acetylthiazolidine-2-thione

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
In dichloromethane at 25℃; for 0.0166667h;	84%

: 17544-07-9
N-isopropyltetrahydropyrrole

: 108-24-7
acetic anhydride

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate at 120℃; for 14h; Acetylation; dealkylation;	76%

: 84702-77-2
6-azido-2-hexanone

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
With trifluoroacetic acid	75%

: 123-75-1
pyrrolidine

: 87386-72-9
2-acetoxy-5-chloro-3,6-diisopropylpyrazine

A: 4030-18-6
N-(acetyl)pyrrolidine

B: 87386-78-5
5-chloro-3,6-diisopropyl-2-hydroxypyrazine

Conditions

Conditions	Yield
In benzene for 15h; Ambient temperature;	A 74% B n/a
In benzene for 15h; Product distribution; Ambient temperature;	A 74% B n/a

...Expand

: 123-75-1
pyrrolidine

: 93338-75-1, 97861-64-8
3-bromobicyclo<3.2.1>oct-3-en-2-ol, 2-exo-acetate

A: 4030-18-6
N-(acetyl)pyrrolidine

: 2565-97-1
3-bromo-4-exo-hydroxybicyclo<3.2.1>oct-2-ene

Conditions

Conditions	Yield
bis-triphenylphosphine-palladium(II) chloride at 80℃; for 2h;	A n/a B 74%

...Expand

: 123-75-1
pyrrolidine

: 1445-45-0
Trimethyl orthoacetate

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
With ammonium chloride In ethanol for 2h; Reflux;	70%

: 123-75-1
pyrrolidine

: 87386-70-7
2-acetoxy-3,6-diisopropylpyrazine

A: 4030-18-6
N-(acetyl)pyrrolidine

B: 86799-77-1
3,6-Diisopropyl-2-hydroxypyrazine

Conditions

Conditions	Yield
In benzene for 15h; Ambient temperature;	A 69% B n/a
In benzene for 15h; Product distribution; Ambient temperature;	A 69% B n/a

...Expand

: 123-75-1
pyrrolidine

: 72876-09-6
3-acetoxy-2,5-diethyl-pyrazine

A: 4030-18-6
N-(acetyl)pyrrolidine

B: 72876-11-0
3,6-diethyl-2-hydroxypyrazine

Conditions

Conditions	Yield
In benzene for 15h; Ambient temperature;	A 68% B n/a
In benzene for 15h; Product distribution; Ambient temperature;	A 68% B n/a

...Expand

: 29897-82-3
N-benzylpyrrolidine

: 108-24-7
acetic anhydride

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate at 120℃; for 38h; Acetylation; dealkylation;	58%

: 123-75-1
pyrrolidine

: 123-54-6
acetylacetone

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium t-butanolate In toluene at 100℃; for 16h;	58%

: 109-99-9
tetrahydrofuran

: 75-05-8
acetonitrile

: 4030-18-6
N-(acetyl)pyrrolidine

Conditions

Conditions	Yield
With HCaLnY zeolite at 350℃; for 8h; Autoclave; Inert atmosphere;	38%

: 4030-18-6
N-(acetyl)pyrrolidine

: 51608-60-7
phenyl N-tosyl imine

: 4-methyl-N-(3-oxo-1-phenyl-3-(pyrrolidin-1-yl)propyl)benzenesulfonamide

Conditions

Conditions	Yield
With tris(pentafluorophenyl)borate; 1,8-diazabicyclo[5.4.0]undec-7-ene In hexane; toluene at 22℃; for 12h; Inert atmosphere; Schlenk technique;	98%

: 4030-18-6
N-(acetyl)pyrrolidine

: 1353047-11-6
methyl 3-chloro-6-ethylsulfanylbenzoate

: 1353047-20-7
1-(5-chloro-2-ethylsulfanylphenyl)-3-(pyrrolidin-1-yl)propane-1,3-dione

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.5h; Inert atmosphere;	93%

: 4030-18-6
N-(acetyl)pyrrolidine

: 1-ethylpyrrolidine hydrochloride

Conditions

Conditions	Yield
Stage #1: N-(acetyl)pyrrolidine With hydrogen In 1,2-dimethoxyethane at 160℃; under 22502.3 Torr; for 20h; Inert atmosphere; Autoclave; Molecular sieve; Stage #2: With hydrogenchloride In 1,4-dioxane; water	93%

: 4030-18-6
N-(acetyl)pyrrolidine

: 3795-78-6
2-ethylsulfanyl-benzoic acid methyl ester

: 1353047-14-9
3-(2-ethylsulfanylphenyl)-1-(pyrrolidin-1-yl)propane-1,3-dione

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.5h; Inert atmosphere;	92%

: 4030-18-6
N-(acetyl)pyrrolidine

: 34452-56-7
trimethylsilyl p-tolylsulfonylacetylene

: 118800-18-3
1-acetyl-2-<(trimethylsilyl)ethynyl>pyrrolidine

Conditions

Conditions	Yield
With benzophenone In tert-butyl alcohol at 20℃; for 1.5h; Irradiation; Inert atmosphere;	89%

: 4030-18-6
N-(acetyl)pyrrolidine

: 108-86-1
bromobenzene

: 3389-53-5
phenylacetylpyrrolidine

Conditions

Conditions	Yield
With N-(dicyclohexylphosphino)-2-(2'-methylphenyl)-1H-indole; palladium diacetate; lithium tert-butoxide In toluene at 90℃; Inert atmosphere; Sealed tube; Microwave irradiation; chemoselective reaction;	85%

: 4030-18-6
N-(acetyl)pyrrolidine

: 932-17-2
N-acetylpyrrolidinone

Conditions

Conditions	Yield
With pyridine; N-hydroxyphthalimide; sodium perchlorate In acetonitrile controlled potential electrolysis, electrodes: glassy-carbon vs. SCE;	80%
Stage #1: N-(acetyl)pyrrolidine With [bis(acetoxy)iodo]benzene In nitromethane at 0℃; Stage #2: With tert.-butylhydroperoxide In decane; nitromethane at 0 - 25℃; for 18h;	51%
With oxygen; titanium(IV) oxide In water for 48h; Irradiation;	0.9 mmol

: 4030-18-6
N-(acetyl)pyrrolidine

: 19158-51-1
P-toluenesulfonyl cyanide

: 1-acetylpyrrolidine-2-carbonitrile

Conditions

Conditions	Yield
With [Ir(2-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine)2(5,5'-bis(trifluoromethyl)-2,2'-bipyridine)]PF6; (S)-1,1'-binaphthyl-2,2'-diyl hydrogen phosphate; potassium carbonate In dichloromethane at 20℃; for 20h; Inert atmosphere; Sealed tube; Irradiation;	80%

: 4030-18-6
N-(acetyl)pyrrolidine

: 7335-06-0
1-ethylpyrrolidine

Conditions

Conditions	Yield
With hydrogen; RhMoZn/C In di-isopropyl ether at 70 - 160℃; under 7500.75 Torr; for 16h; Conversion of starting material;	77%
With hydrogen; PtReIn/silica In di-isopropyl ether at 70 - 160℃; under 7500.75 Torr; for 16h; Conversion of starting material;	50%
With hydrogen; PtReCu/silica In di-isopropyl ether at 70 - 160℃; under 7500.75 Torr; for 16h; Conversion of starting material;	40%

Ethanone,1-(1-pyrrolidinyl)- Specification

The Ethanone,1-(1-pyrrolidinyl)- is an organic compound with the formula C₆H₁₁NO. The IUPAC name of this chemical is 1-pyrrolidin-1-ylethanone. With the CAS registry number 4030-18-6, it is also named as N-Acetylpyrrolidine. Besides, it should be stored in a dark closed and well-ventilated place.

Physical properties about Ethanone,1-(1-pyrrolidinyl)- are: (1)ACD/LogP: 0.17; (2)ACD/LogD (pH 5.5): 0.17; (3)ACD/LogD (pH 7.4): 0.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.34; (7)ACD/KOC (pH 7.4): 29.34; (8)#H bond acceptors: 2; (9)Polar Surface Area: 20.31 Å²; (10)Index of Refraction: 1.474; (11)Molar Refractivity: 31.21 cm³; (12)Molar Volume: 111 cm³; (13)Polarizability: 12.37×10^-24cm³; (14)Surface Tension: 36.1 dyne/cm; (15)Density: 1.019 g/cm³; (16)Flash Point: 90.8 °C; (17)Enthalpy of Vaporization: 44.84 kJ/mol; (18)Boiling Point: 212.1 °C at 760 mmHg; (19)Vapour Pressure: 0.176 mmHg at 25°C.

Preparation: this chemical can be prepared by pyrrolidine and acetyl chloride. This reaction will need reagent pyridine and solvent CH₂Cl₂. The reaction time is 60 min. The yield is about 84%.

Uses of Ethanone,1-(1-pyrrolidinyl)-: it can be used to produce 1-nitro-pyrrolidine at ambient temperature. It will need reagent NO₂OTf and solvent CH₂Cl₂ with reaction time of 18 hours. The yield is about 47.9%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCCC1)C
(2)InChI: InChI=1/C6H11NO/c1-6(8)7-4-2-3-5-7/h2-5H2,1H3
(3)InChIKey: LNWWQYYLZVZXKS-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H11NO/c1-6(8)7-4-2-3-5-7/h2-5H2,1H3
(5)Std. InChIKey: LNWWQYYLZVZXKS-UHFFFAOYSA-N

Product Name

1-ACETYLPYRROLIDINE

Synthetic route

Ethanone,1-(1-pyrrolidinyl)- Specification

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