2-(1H-pyrrol-2-yl)ethanol

Base Information

• Chemical Name: 2-(1H-pyrrol-2-yl)ethanol
• CAS No.: 22186-60-3
• Molecular Formula: C6H9 N O
• Molecular Weight: 111.144
• NSC Number: 134711
• UNII: 58KH2Y7ELK
• DSSTox Substance ID: DTXSID90300086
• Nikkaji Number: J730.650D
• Wikidata: Q82042885
• Mol file: 22186-60-3.mol

Synonyms:2-(1H-pyrrol-2-yl)ethanol;1H-Pyrrole-2-ethanol;22186-60-3;Pyrrole-2-ethanol;NSC-134711;2-(2-Hydroxyethyl)pyrrole;58KH2Y7ELK;2-(1H-pyrrol-2-yl)ethan-1-ol;2-azolylethanol;NSC134711;2-hydroxyethylpyrrole;UNII-58KH2Y7ELK;SCHEMBL1999263;DTXSID90300086;MFCD12964680;AKOS006347262;AB10351;AS-44482;CS-0197709;EN300-1635210

Chemical Property of 2-(1H-pyrrol-2-yl)ethanol

Chemical Property:

• Vapor Pressure: 0.0154mmHg at 25°C
• Boiling Point: 245.3°Cat760mmHg
• Flash Point: 102.2°C
• PSA: 36.02000
• Density: 1.133g/cm³
• LogP: 0.54950
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 111.068413911
• Heavy Atom Count: 8
• Complexity: 65.5

Purity/Quality:

95-99% ^*data from raw suppliers

2-(1H-Pyrrol-2-yl)ethanol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC(=C1)CCO

Technology Process of 2-(1H-pyrrol-2-yl)ethanol

There total 8 articles about 2-(1H-pyrrol-2-yl)ethanol 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: 66.0%

pyrrol-2-yl-acetic acid methyl ester (53912-79-1) → 2-(2-hydroxyethyl)-pyrrole (22186-60-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 1.16667h; Inert atmosphere; Cooling with ice;

Reference yield: 22.0%

n-octyl pyrrole-2-glyoxalate (96999-22-3) → 2-(2-hydroxyethyl)-pyrrole (22186-60-3)

Guidance literature:

With sodium tetrahydroborate; In isopropyl alcohol; for 29h; Heating;

DOI:10.1021/jo00216a030

Reference yield:

(1H-pyrrol-2-yl)acetic acid ethyl ester (4778-25-0) → 2-(2-hydroxyethyl)-pyrrole (22186-60-3)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/ja01631a073

upstream raw materials:

(1H-pyrrol-2-yl)acetic acid ethyl ester

oxirane

pyrrole

n-octyl pyrrole-2-glyoxalate

Downstream raw materials:

2-(β-hydroxyethyl)-pyrrolidine

2-(2-pyrrolyl)ethyl 4-phenyl-3(E)-butenoate

<1-(1,1-dimethylethoxycarbonyl)-2-pyrrolyl>ethyl 2-diazo-4-phenyl-3(E)-butenoate

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