2-pyrrolidin-2-yl-1H-indole

Base Information

• Chemical Name: 2-pyrrolidin-2-yl-1H-indole
• CAS No.: 112565-42-1
• Molecular Formula: C₁₂H₁₄N₂
• Molecular Weight: 186.257
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70394665
• Mol file: 112565-42-1.mol

Synonyms:2-pyrrolidin-2-yl-1H-indole;112565-42-1;2-(pyrrolidin-2-yl)-1H-indole;2-(2-pyrrolidinyl)-1H-indole;1H-Indole,2-(2-pyrrolidinyl)-;1H-Indole, 2-pyrrolidin-2-yl-;1H-Indole, 2-(2-pyrrolidinyl)-;2_pyrrolidin_2yl_1H_indole;SCHEMBL3330972;DTXSID70394665;OMBLRQAOBHNNED-UHFFFAOYSA-N;BBL020558;MFCD02663481;STK893247;AKOS001475996;AB12056;BS-30119;2-Pyrrolidin-2-yl-1H-indole, AldrichCPR;CS-0206280;FT-0694370;EN300-1998390;A802602;W-204787

Chemical Property of 2-pyrrolidin-2-yl-1H-indole

Chemical Property:

• Vapor Pressure: 0.00817mmHg at 25°C
• Melting Point: 102-103 °C(Solv: 1,1,1-trichloroethane (71-55-6))
• Refractive Index: 1.534
• Boiling Point: 373.2 °C at 760 mmHg
• PKA: 17.11±0.30(Predicted)
• Flash Point: 179.5 °C
• PSA: 27.82000
• Density: 1.154 g/cm³
• LogP: 2.92120
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 186.115698455
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

2-Pyrrolidin-2-yl-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(NC1)C2=CC3=CC=CC=C3N2

Technology Process of 2-pyrrolidin-2-yl-1H-indole

There total 3 articles about 2-pyrrolidin-2-yl-1H-indole 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: 100.0%

2-(3,4-dihydro-2H-pyrrol-5-yl)indole (91391-78-5) → 2-indol-2-ylpyrrolidine (112565-42-1)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 72h;

DOI:10.1039/P19870001599

Reference yield:

1-benzenesulfonylindole (40899-71-6) → 2-indol-2-ylpyrrolidine (112565-42-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 72 percent / butyl-lithium / tetrahydrofuran / 1.5 h / Ambient temperature

2: 74 percent / potassium hydroxide / ethanol; H₂O / 48 h / Heating

3: 100 percent / sodium borohydride / ethanol / 72 h

With potassium hydroxide; sodium tetrahydroborate; n-butyllithium; In tetrahydrofuran; ethanol; water;

DOI:10.1039/P19870001599

Reference yield:

4-benzamido-1-(1-phenylsulphonylindol-2-yl)butan-1-one (112565-40-9) → 2-indol-2-ylpyrrolidine (112565-42-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 74 percent / potassium hydroxide / ethanol; H₂O / 48 h / Heating

2: 100 percent / sodium borohydride / ethanol / 72 h

With potassium hydroxide; sodium tetrahydroborate; In ethanol; water;

DOI:10.1039/P19870001599

upstream raw materials:

2-(3,4-dihydro-2H-pyrrol-5-yl)indole

1-benzenesulfonylindole

4-benzamido-1-(1-phenylsulphonylindol-2-yl)butan-1-one

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