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1-Ethyl-3-pyrrolidinol

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Name

1-Ethyl-3-pyrrolidinol

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

N-Ethyl-3-hydroxypyrrolidine;N-Ethyl-3-pyrrolidinol;NSC 88610;

 

1-Ethyl-3-pyrrolidinol Synthetic route

2419-74-1

1,4-dichlorobutan-2-ol

75-04-7

ethylamine

30727-14-1

N-ethyl-3-hydroxypyrrolidine

Conditions
ConditionsYield
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
ConditionsYield
With ethanol at 100 - 130℃;
1-ethyl-pyrrolidin-3-one

1-ethyl-pyrrolidin-3-one

30727-14-1

N-ethyl-3-hydroxypyrrolidine

Conditions
ConditionsYield
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
ConditionsYield
With ethanol at 90℃;
94-71-3

2-Ethoxyphenol

1-ethyl-3,4-epoxypyrrolidine

30727-14-1

N-ethyl-3-hydroxypyrrolidine

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
In N,N-dimethyl-formamide63%
30727-14-1

N-ethyl-3-hydroxypyrrolidine

C36H48N2O2

C42H59N3O2

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

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,

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