1-Ethyl-3-pyrrolidinol supplier

Name
1-ETHYL-3-PYRROLIDINOL
EINECS 250-310-7
CAS No. 30727-14-1
Density 1.007 g/cm³
Solubility
Melting Point
Formula C₆H₁₃NO
Boiling Point 204.5 °C at 760 mmHg
Molecular Weight 115.175
Flash Point 73.9 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms N-Ethyl-3-hydroxypyrrolidine;N-Ethyl-3-pyrrolidinol;NSC 88610;
PSA 23.47000
LogP 0.01080

Synthetic route

: 2419-74-1
1,4-dichlorobutan-2-ol

: 75-04-7
ethylamine

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

Conditions

Conditions	Yield
In water at 10 - 120℃; under 6750.68 Torr; for 10h; Autoclave; Sealed tube;	66.1%

: 19398-47-1
1,4-dibromo-2-butanol

: 75-04-7
ethylamine

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

Conditions

Conditions	Yield
With ethanol at 100 - 130℃;

1-ethyl-pyrrolidin-3-one: 1-ethyl-pyrrolidin-3-one

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

Conditions

Conditions	Yield
With sodium borate; water

: 75-04-7
ethylamine

(+-)-1,4-dichloro-butan-2-ol: (+-)-1,4-dichloro-butan-2-ol

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

Conditions

Conditions	Yield
With ethanol at 90℃;

: 94-71-3
2-Ethoxyphenol

: 1-ethyl-3,4-epoxypyrrolidine

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide In dichloromethane

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

: 98-59-9
p-toluenesulfonyl chloride

: 957621-58-8
toluene-4-sulfonic acid 1-ethylpyrrolidin-3-yl ester

Conditions

Conditions	Yield
With triethylamine In dichloromethane for 3h;	74.9%

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

: 64471-45-0
(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid

: (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid 1-ethylpyrrolidin-3-yl ester

Conditions

Conditions	Yield
Stage #1: (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid With 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: N-ethyl-3-hydroxypyrrolidine With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 15h;	65%

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

: 193966-49-3
4-fluorophenyl 2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[b]thiophen-3-yl ketone

: 4-[(1-Ethylpyrrolidin-3-yl)oxy]phenyl 2-[4-[2-(1-Pyrrolidinyl)ethoxy]phenyl]benzo[b]thiophen-3-yl Ketone

Conditions

Conditions	Yield
In N,N-dimethyl-formamide	63%

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

: C36H48N2O2

: C42H59N3O2

Conditions

Conditions	Yield
Stage #1: C36H48N2O2 With oxalyl dichloride In dichloromethane at 20℃; for 24h; Stage #2: N-ethyl-3-hydroxypyrrolidine With triethylamine In dichloromethane at 20℃; for 8h;	48%

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

: 847559-68-6
2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethylamide

: 908002-40-4
2-amino-4-[2,4-dichloro-5-(1-ethyl-pyrrolidin-3-yloxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethylamide

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 16h; Mitsunobu reaction;	41%

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

: 182944-97-4, 343251-03-6
2,4-diferrocenyl-1,3-dithiadiphosphetane-2,4-disulfide

: 1005195-40-3
(O-1-ethyl-3-pyrrolidinium)ferrocenyldithiophosphonate

Conditions

Conditions	Yield
In toluene (FcPS(μ-S))2 treated with 1-ethyl-3-pyrrolidinol in toluene; mixture heated for 30-45 min; obtained solid isolated by filtration and extracted 3 times with hot CHCl3; CHCl3 removed at room temp.; elem. anal.;	39%

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

: 2942-59-8
2-chloronicotinic acid

: Sodium; 2-(1-ethyl-pyrrolidin-3-yloxy)-nicotinate

Conditions

Conditions	Yield
With sodium hydride In dimethyl sulfoxide at 60℃;

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

: 3-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-2-(4-triisopropylsilanyloxy-phenyl)-benzo[b]thiophen-6-ol

: 2-[4-(1-ethyl-pyrrolidin-3-yloxy)-phenyl]-3-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-benzo[b]thiophen-6-ol

Conditions

Conditions	Yield
Multistep reaction;

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

: 109-00-2
3-HYDROXYPYRIDINE

: 3-(1-Ethyl-3-pyrrolidinyloxy)-pyridine

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran Mitsunobu reaction;

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

: 91836-98-5
2-[2-(Dimethylamino)ethyl]-4-ethyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5(4H)-thione

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: NaH / dimethylsulfoxide / 60 °C 2: 1) HCl(g), 2) triphenylphosphine, CCl4 / 1) CHCl3, -> pH 6, 2) reflux 3: P4S10 / CHCl3 / Heating 4: 39 percent / Ambient temperature View Scheme

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

: 91833-28-2
8-(2-Chloro-ethyl)-6-ethyl-7,8-dihydro-6H-9-oxa-1,6-diaza-benzocyclohepten-5-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaH / dimethylsulfoxide / 60 °C 2: 1) HCl(g), 2) triphenylphosphine, CCl4 / 1) CHCl3, -> pH 6, 2) reflux View Scheme

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

: 91837-18-2
8-(2-Chloro-ethyl)-6-ethyl-7,8-dihydro-6H-9-oxa-1,6-diaza-benzocycloheptene-5-thione

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: NaH / dimethylsulfoxide / 60 °C 2: 1) HCl(g), 2) triphenylphosphine, CCl4 / 1) CHCl3, -> pH 6, 2) reflux 3: P4S10 / CHCl3 / Heating View Scheme

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

: 313657-51-1
tert-butyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate

: 1106056-84-1
4-[2-(1-ethyl-pyrrolidin-3-yloxy)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
Mitsunobu reaction;

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

: 616866-20-7
1-ethylpyrrolidin-3-ol sodium salt

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

: 1061750-36-4
N-[2-(3,5-dimethyl-pyrazol-1-yl)-6-(3-hydroxy-phenyl)-pyrimidin-4-yl]-acetamide

: 1061749-49-2
C23H28N6O2

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 20℃; for 12h; Mitsunobu reaction;

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

: 902767-82-2
5-((4-iodophenyl)methoxy)-1,2-dichloronaphthalene

: 902767-83-3
1-((1-ethylpyrrolidin-3-yl)oxy)-4-((5,6-dichloronaphthyloxy)methyl)benzene

Conditions

Conditions	Yield
Stage #1: N-ethyl-3-hydroxypyrrolidine With methyllithium In 1,2-dimethoxyethane; diethyl ether at 0℃; for 0.166667h; Stage #2: With copper(l) chloride In 1,2-dimethoxyethane; diethyl ether at 0 - 20℃; for 0.5h; Stage #3: 5-((4-iodophenyl)methoxy)-1,2-dichloronaphthalene With pyridine In 1,2-dimethoxyethane; diethyl ether at 20℃; for 48h; Heating / reflux;

: 30727-14-1
N-ethyl-3-hydroxypyrrolidine

: 2581-34-2
3-methyl-4-nitrophenol

: 1246532-41-1
1-ethyl-3-(3-methyl-4-nitro-phenoxy)-pyrrolidine

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; Inert atmosphere;

1-Ethyl-3-pyrrolidinol Specification

The 3-Pyrrolidinol,1-ethyl-, with the CAS registry number 30727-14-1, is also known as 1-Ethyl-3-pyrrolidinol. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Pyrrolidines. Its EINECS registry number is 250-310-7. This chemical's molecular formula is C₆H₁₃NO and molecular weight is 115.17. Its IUPAC name is called 1-ethylpyrrolidin-3-ol.

Physical properties of 3-Pyrrolidinol,1-ethyl-: (1)ACD/LogP: -0.16; (2)ACD/LogD (pH 5.5): -3.22; (3)ACD/LogD (pH 7.4): -2.4; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.487; (12)Molar Refractivity: 32.93 cm³; (13)Molar Volume: 114.3 cm³; (14)Surface Tension: 36.9 dyne/cm; (15)Density: 1.007 g/cm³; (16)Flash Point: 73.9 °C; (17)Enthalpy of Vaporization: 51.27 kJ/mol; (18)Boiling Point: 204.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0629 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN1CCC(C1)O
(2)InChI: InChI=1S/C6H13NO/c1-2-7-4-3-6(8)5-7/h6,8H,2-5H2,1H3
(3)InChIKey: IDBNECMSCRAUNU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	180mg/kg (180mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02177,

Product Name

1-ETHYL-3-PYRROLIDINOL

Synthetic route

1-Ethyl-3-pyrrolidinol Specification

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