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CAS No.: | 30727-14-1 |
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Name: | 1-ETHYL-3-PYRROLIDINOL |
Molecular Structure: | |
Formula: | C6H13NO |
Molecular Weight: | 115.175 |
Synonyms: | N-Ethyl-3-hydroxypyrrolidine;N-Ethyl-3-pyrrolidinol;NSC 88610; |
EINECS: | 250-310-7 |
Density: | 1.007 g/cm3 |
Boiling Point: | 204.5 °C at 760 mmHg |
Flash Point: | 73.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 23.47000 |
LogP: | 0.01080 |
Conditions | Yield |
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In water at 10 - 120℃; under 6750.68 Torr; for 10h; Autoclave; Sealed tube; | 66.1% |
Conditions | Yield |
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With ethanol at 100 - 130℃; |
N-ethyl-3-hydroxypyrrolidine
Conditions | Yield |
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With sodium borate; water |
ethylamine
N-ethyl-3-hydroxypyrrolidine
Conditions | Yield |
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With ethanol at 90℃; |
Conditions | Yield |
---|---|
With hydrogenchloride; sodium hydroxide In dichloromethane |
N-ethyl-3-hydroxypyrrolidine
p-toluenesulfonyl chloride
toluene-4-sulfonic acid 1-ethylpyrrolidin-3-yl ester
Conditions | Yield |
---|---|
With triethylamine In dichloromethane for 3h; | 74.9% |
N-ethyl-3-hydroxypyrrolidine
(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid
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% |
N-ethyl-3-hydroxypyrrolidine
4-fluorophenyl 2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[b]thiophen-3-yl ketone
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide | 63% |
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% |
N-ethyl-3-hydroxypyrrolidine
2-amino-4-(2,4-dichloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethylamide
2-amino-4-[2,4-dichloro-5-(1-ethyl-pyrrolidin-3-yloxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethylamide
Conditions | Yield |
---|---|
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 16h; Mitsunobu reaction; | 41% |
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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, |