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30727-14-1

30727-14-1 Structure

30727-14-1 Structure
IdentificationMore
[Name]

1-ETHYL-3-PYRROLIDINOL
[CAS]

30727-14-1
[Synonyms]

1-ETHYL-3-HYDROXYPYRROLIDINE
1-ETHYL-3-PYRROLIDINOL
1-ethyl-3-pyrrolidino
3-Pyrrolidinol, 1-ethyl-
Ethylpyrrolidinol
1-ethylpyrrolidin-3-ol
N-Ethylpyrrolidin-3-ol (racemat)
1-ETHYL-3-PYRROLIDINOL 95+%
[EINECS(EC#)]

250-310-7
[Molecular Formula]

C6H13NO
[MDL Number]

MFCD00003179
[Molecular Weight]

115.17
[MOL File]

30727-14-1.mol
Chemical PropertiesBack Directory
[Boiling point ]

59-61 °C1 mm Hg(lit.)
[density ]

0.967 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.467(lit.)
[Fp ]

165 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[pka]

14.83±0.20(Predicted)
[color ]

Colorless to Brown
[InChI]

1S/C6H13NO/c1-2-7-4-3-6(8)5-7/h6,8H,2-5H2,1H3
[InChIKey]

IDBNECMSCRAUNU-UHFFFAOYSA-N
[SMILES]

CCN1CCC(O)C1
[CAS DataBase Reference]

30727-14-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

UY5685500
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Toxicity]

mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02177,
Spectrum DetailBack Directory
[Spectrum Detail]

1-ETHYL-3-PYRROLIDINOL(30727-14-1)MS
1-ETHYL-3-PYRROLIDINOL(30727-14-1)1HNMR
1-ETHYL-3-PYRROLIDINOL(30727-14-1)13CNMR
1-ETHYL-3-PYRROLIDINOL(30727-14-1)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

30727-14-1(sigmaaldrich)
[TCI AMERICA]

1-Ethyl-3-pyrrolidinol,>95.0%(GC)(T)(30727-14-1)
Hazard InformationBack Directory
[Synthesis]

1,4-DICHLORO-2-BUTANOL

2419-74-1

Ethylamine

75-04-7

1-ETHYL-3-PYRROLIDINOL

30727-14-1

The present embodiment is a method for the preparation of 1-ethyl-3-pyrrolidinol, which was carried out as follows: 250 g of 40 wt% aqueous ethylamine solution was added to a 500 mL four-necked flask, cooled to 10 °C, and placed in an ice-water bath. Under stirring conditions, 102 g of 1,4-dichloro-2-butanol was added dropwise, and the temperature was controlled to be about 15 °C. After the dropwise addition was completed in about 15 min, the reaction system was transferred to a 500 mL autoclave, sealed, evacuated to a pressure of 1.0±0.1 MPa, heated to 120±2°C, stirred and reacted for about 10 h. The reaction was monitored by GC until the raw material disappeared. After the reaction was completed, cooled to room temperature, discharged the reaction material, added 110g of sodium hydroxide in batches, taking care to control the temperature below 50°C to release ethylamine gas and precipitate a white solid, and continued stirring for 1h. After filtration, the filtrate was layered, the upper organic phase was taken, 100mL of ethanol and 18g of anhydrous magnesium sulfate were added, and stirred for 2~3h. Filtered again, and the filtrate was concentrated under vacuum to obtain a yellow transparent The filtrate was again filtered and concentrated under vacuum to obtain a yellow transparent oily liquid, and finally 46.7 g of colorless and transparent 1-ethyl-3-pyrrolidinol was obtained by vacuum distillation with a yield of 64.8% and a purity of 99.3% (HPLC).

[References]

[1] Patent: CN106631956, 2017, A. Location in patent: Paragraph 0022; 0023; 0024; 0025; 0026; 0027
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