1-Pyrrolidineethanol

Base Information

• Chemical Name: 1-Pyrrolidineethanol
• CAS No.: 2955-88-6
• Molecular Formula: C6H13 N O
• Molecular Weight: 115.175
• Hs Code.: 29339900
• European Community (EC) Number: 220-976-3
• NSC Number: 26883
• UNII: R3D835XVCR
• DSSTox Substance ID: DTXSID70183733
• Nikkaji Number: J150.838E
• Wikidata: Q27121124
• NCI Thesaurus Code: C169956
• Metabolomics Workbench ID: 56931
• ChEMBL ID: CHEMBL122581
• Mol file: 2955-88-6.mol

Synonyms:epolamine;epolamine hydrochloride;N-(2-hydroxyethyl)-2,5-(14C)-pyrrolidine;N-(2-hydroxyethyl)pyrrolidine

Chemical Property of 1-Pyrrolidineethanol

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 0.311mmHg at 25°C
• Melting Point: 205 °C (decomp)
• Refractive Index: n20/D 1.473
• Boiling Point: 79-81 ºC (13 mmHg),177.6 °C at 760 mmHg
• PKA: 14.74±0.10(Predicted)
• Flash Point: 56 ºC
• PSA: 23.47000
• Density: 0.985
• LogP: 0.01240
• Storage Temp.: Room temperature.
• Water Solubility.: Partly soluble in water. Soluble in alcohol, ether, benzene.
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 115.099714038
• Heavy Atom Count: 8
• Complexity: 59.5

Purity/Quality:

99% ^*data from raw suppliers

Epolamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A reproductive hazard.
• Hazard Codes: A reproductive hazard.
• Statements: 10
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CCO

Technology Process of 1-Pyrrolidineethanol

There total 19 articles about 1-Pyrrolidineethanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

pyrrolidine (123-75-1) + 2-chloro-ethanol (107-07-3) → 1-pyrrolidineethanol (2955-88-6)

Guidance literature:

With potassium carbonate; In acetonitrile; for 20h; Heating;

DOI:10.1016/S0040-4020(01)80497-X

Reference yield: 83.0%

pyrrolidine (123-75-1) + 2-bromoethanol (540-51-2) → 1-pyrrolidineethanol (2955-88-6)

Guidance literature:

In tetrahydrofuran; for 36h; Heating / reflux;

Reference yield: 70.0%

1-[2-(4-Methoxy-benzyloxy)-ethyl]-pyrrolidine → 1-pyrrolidineethanol (2955-88-6) + 4-methoxy-benzaldehyde (123-11-5)

Guidance literature:

With naphthalene-1,4-dicarbonitrile; In water; acetonitrile; for 8h; Irradiation;

upstream raw materials:

oxirane

pyrrolidine

2-chloro-ethanol

2-bromoethanol

Downstream raw materials:

1-(2-benzhydryloxy-ethyl)-pyrrolidine

cyclohexyl-phenyl-acetic acid-(2-pyrrolidino-ethyl ester)

4-ethoxy-2,6-dimethyl-benzoic acid-(2-pyrrolidino-ethyl ester)

2,6-dimethyl-4-propoxy-benzoic acid-(2-pyrrolidino-ethyl ester)

Refernces

• 1、 Haering,Stille. "-". . p. 642,648. Retrieved 1961.
• 2、 -. "RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF". Paragraph 00230; 00397. . Retrieved 2020/07/05.
• 3、 Affini, Anna,Hagenow, Stefanie,Zivkovic, Aleksandra,Marco-Contelles, Jose,Stark, Holger. "Novel indanone derivatives as MAO B/H3R dual-targeting ligands for treatment of Parkinson's disease". . p. 487 - 497. Retrieved 2018/02/28.