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

Base Information

• Chemical Name: 2-(1H-pyrrol-2-yl)ethanamine
• CAS No.: 40808-62-6
• Molecular Formula: C6H10N2
• Molecular Weight: 110.16
• Hs Code.: 2933990090
• European Community (EC) Number: 853-894-7
• DSSTox Substance ID: DTXSID20540817
• Wikidata: Q72505058
• Mol file: 40808-62-6.mol

Synonyms:2-(1H-pyrrol-2-yl)ethanamine;40808-62-6;2-(2-Pyrrolyl)ethylamine;2-(1H-PYRROL-2-YL)-ETHYLAMINE;2-(1H-pyrrol-2-yl)ethan-1-amine;MFCD08448797;1H-Pyrrole-2-ethanamine;2-(2-Aminoethyl)pyrrole;aminoethylpyrrole;SCHEMBL444570;DTXSID20540817;[2-(1H-pyrrol-2-yl)ethyl]amine;2-(1H-pyrrol-2-yl)-ethyl-amine;AMY32066;AKOS010639559;SB37089;AS-46734;SY011737;CS-0197212;EN300-54456;F10331;A873224;Z810507730

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

Chemical Property:

• Boiling Point: 229℃
• PKA: 17.44±0.50(Predicted)
• Flash Point: 115℃
• PSA: 41.81000
• Density: 1.056
• LogP: 1.21620
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 110.084398327
• Heavy Atom Count: 8
• Complexity: 63.5

Purity/Quality:

97% ^*data from raw suppliers

2-(1H-Pyrrol-2-yl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC(=C1)CCN

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

There total 11 articles about 2-(1H-pyrrol-2-yl)ethanamine 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: 70.0%

1-Benzenesulfonyl-2-((E)-2-nitro-vinyl)-1H-pyrrole → 1H(2-pyrrole)β-ethylamine (40808-62-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; for 24h;

Reference yield: 69.0%

2-[(E)-2-nitroeth-1-enyl]-1H-pyrrole (276239-25-9) → 1H(2-pyrrole)β-ethylamine (40808-62-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1002/chem.201802478

Reference yield:

2-(N,N-dimethylaminomethyl)pyrrole (14745-84-7) → 1H(2-pyrrole)β-ethylamine (40808-62-6)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₃I / Erwaermen des entstandenen Methojodids mit NaCN und H₂O

2: LiAlH₄; diethyl ether

With lithium aluminium tetrahydride; diethyl ether; methyl iodide;

DOI:10.1021/ja01098a504

upstream raw materials:

2-pyrroleacetonitrile

Pyrrol-2-acetamid

1-benzenesulfonyl-2-formylpyrrole

2-(N,N-dimethylaminomethyl)pyrrole

Downstream raw materials:

N-(2-pyrrol-2-yl-ethyl)-benzamide

4-carbethoxymethyl-4,5,6,7-tetrahydro<1H>pyrrolo<3,2-c>pyridine

4-methylpyrrolo[3,2-c]pyridine

4-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine