2-Pyrrolidineethanol

Base Information

• Chemical Name: 2-Pyrrolidineethanol
• CAS No.: 19432-88-3
• Molecular Formula: C6H13NO
• Molecular Weight: 115.175
• Hs Code.: 2933990090
• European Community (EC) Number: 243-055-8
• DSSTox Substance ID: DTXSID20941163
• Nikkaji Number: J242.813J
• ChEMBL ID: CHEMBL4576803
• Mol file: 19432-88-3.mol

Synonyms:19432-88-3;2-pyrrolidineethanol;2-(pyrrolidin-2-yl)ethanol;2-Pyrrolidin-2-yl-ethanol;Pyrrolidine-2-ethanol;2-pyrrolidin-2-ylethanol;2-(PYRROLIDIN-2-YL)ETHAN-1-OL;2-(2-Hydroxyethyl)pyrrolidine;EINECS 243-055-8;MFCD00044908;(S)-2-PYRROLIDIN-2-YL-ETHANOL;2-PYRROLIDINE 2-ETHANOL;SCHEMBL197631;CHEMBL4576803;DTXSID20941163;1-Cyclohexyl-5-ethylbarbituricacid;AMY23861;AKOS005264791;2-Pyrrolidin-2-yl-ethanol, AldrichCPR;AS-35497;RAC 2-(2-HYDROXYETHYL)-PYRROLIDINE;A4276;CS-0068093;FT-0682238;EN300-154223;A891246;(3S)-3,4-dihydro-2H-chromen-3-ylamine hydrochloride;Z1198148537;2-PYRROLIDIN-2-YL-ETHANOL;2-Pyrrolidineethanol, hydrochloride;2-Pyrrolidin-2-yl-ethanol hydrochloride;2-(PYRROLIDIN-2-YL)ETHANOL HCL

Chemical Property of 2-Pyrrolidineethanol

Chemical Property:

• Vapor Pressure: 0.034mmHg at 25°C
• Refractive Index: 1.457
• Boiling Point: 214.5 °C at 760 mmHg
• PKA: 15.03±0.10(Predicted)
• Flash Point: 107.3 °C
• PSA: 32.26000
• Density: 0.961g/cm³
• LogP: 0.44960
• Storage Temp.: 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 115.099714038
• Heavy Atom Count: 8
• Complexity: 65.5

Purity/Quality:

99% ^*data from raw suppliers

2-Pyrrolidin-2-yl-ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(NC1)CCO
• Uses: 2-Pyrrolidin-2-yl-ethanol can be used as inhibitor of c-Kit kinase to treat cancer.

Technology Process of 2-Pyrrolidineethanol

There total 6 articles about 2-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: 67.6%

2-(2-hydroxyethyl)-pyrrole (22186-60-3) → 2-(β-hydroxyethyl)-pyrrolidine (19432-88-3)

Guidance literature:

With hydrogen; platinum(IV) oxide; In acetic acid;

DOI:10.1002/mrc.1270200209

Reference yield:

→ 2-(β-hydroxyethyl)-pyrrolidine (19432-88-3)

Guidance literature:

With palladium on activated charcoal; acetic acid; Hydrogenation;

DOI:10.1021/jo01135a015

Reference yield:

→ 2-(β-hydroxyethyl)-pyrrolidine (19432-88-3)

Guidance literature:

With hydrogen; acetic acid; platinum; Eindampfen des Reaktionsgemisches mit Salzsaeure;

upstream raw materials:

2-(2-hydroxyethyl)-pyrrole

1-acetyl-2-(2-phenoxyethyl)pyrrolidine

1-propionyl-2-(2-phenoxyethyl)pyrrolidine

Downstream raw materials:

perhydropyrrolo<1,2-c><1,3>oxazine

1-{2-[2-(2-Chloro-phenylsulfanyl)-ethyl]-pyrrolidin-1-yl}-ethanone

1-{2-[2-(3-Chloro-phenoxy)-ethyl]-pyrrolidin-1-yl}-ethanone

1-{2-[2-(4-Bromo-phenoxy)-ethyl]-pyrrolidin-1-yl}-ethanone

Refernces

• 1、 Crabb, Trevor A.,Newton, Roger F.,Rouse, Janet. "Compounds with Bridgehead Nitrogen. 42 - 1H NMR and Stereochemistry of Isomeric 6a-Methylperhydroindolobenzoxazines and the Position of Conformational Equilibrium in Perhydropyrrolooxazine". . p. 113 - 116. Retrieved 2007/10/02.