2-(Piperidin-2-yl)-1h-indole

Base Information

• Chemical Name: 2-(Piperidin-2-yl)-1h-indole
• CAS No.: 20862-83-3
• Molecular Formula: C13H16N2
• Molecular Weight: 200.283
• Hs Code.: 2933990090
• NSC Number: 112665
• Mol file: 20862-83-3.mol

Synonyms:2-(piperidin-2-yl)-1h-indole;20862-83-3;2-piperidin-2-yl-1H-indole;NSC112665;2-(piperidin-2-yl)benzazole;SCHEMBL5382942;MFCD02663628;AKOS009209174;NSC-112665;AS-42226;CS-0217269;FT-0730247;EN300-72509;Z336151510

Chemical Property of 2-(Piperidin-2-yl)-1h-indole

Chemical Property:

• Vapor Pressure: 3.74E-06mmHg at 25°C
• Boiling Point: 385.7°Cat760mmHg
• Flash Point: 187°C
• PSA: 27.82000
• Density: 1.118g/cm³
• LogP: 3.31130
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 200.131348519
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

2-(Piperidin-2-yl)-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCNC(C1)C2=CC3=CC=CC=C3N2
• Uses: 2-(piperidin-2-yl)-1H-indole (cas# 20862-83-3) can be used to elucidate inhibitor biding modes to drug all RAS isoforms with one pocket for human cancers. It can also be used as lysophosphatidic acid (LPA) receptor antagonist to treat proliferative and inflammatory diseases.

Technology Process of 2-(Piperidin-2-yl)-1h-indole

There total 4 articles about 2-(Piperidin-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: 96.0%

2-(2-pyridinyl)-1H-indole (13228-40-5) → 2-(piperidin-2-yl)-1H-indole (20862-83-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; acetic acid; In methanol; at 50 ℃; for 24h; under 60804.1 Torr; Autoclave;

Reference yield:

2-acetylpyridine (1122-62-9) → 2-(piperidin-2-yl)-1H-indole (20862-83-3)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol

2: polyphosphoric acid / 130 °C

3: 82 percent / H₂; acetic acid / PtO₂ / 2585.74 Torr

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

DOI:10.1016/j.bmcl.2004.01.028

Reference yield:

2-acetylpyridine phenylhydrazone (7734-05-6) → 2-(piperidin-2-yl)-1H-indole (20862-83-3)

Guidance literature:

Multi-step reaction with 2 steps

1: polyphosphoric acid / 130 °C

2: 82 percent / H₂; acetic acid / PtO₂ / 2585.74 Torr

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

DOI:10.1016/j.bmcl.2004.01.028

upstream raw materials:

2-(2-pyridinyl)-1H-indole

2-acetylpyridine

2-acetylpyridine phenylhydrazone

Downstream raw materials:

1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizine

(+/-)-1,2,3,4,12,12b-hexahydroindolo[2,3-a]quinolizin-7-one

2-[1-(3-methylbenzyl)-piperidin-2-yl]-1H-indole

7-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine

Refernces

• 1、 Tompkins, David C.,Reilly, Laurence W.,Nelson, Randall B.,Dolby, Lloyd J.,Gribble, Gordon W.. "Synthesis of 6-Oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine". . p. 1048 - 1052. Retrieved 2018.
• 2、 -. "Amide derivative, preparation method of amide derivative, and application of amide derivative to pharmacy". Paragraph 0166; 0176-0179. . Retrieved 2017/08/30.