2-Isopropyl-1H-indole

Base Information

• Chemical Name: 2-Isopropyl-1H-indole
• CAS No.: 17790-93-1
• Molecular Formula: C11H13 N
• Molecular Weight: 159.231
• Hs Code.: 2933990090
• European Community (EC) Number: 241-767-3
• DSSTox Substance ID: DTXSID20170395
• Nikkaji Number: J287.152A
• Wikidata: Q83040315
• Mol file: 17790-93-1.mol

Synonyms:2-Isopropyl-1H-indole;17790-93-1;2-propan-2-yl-1H-indole;EINECS 241-767-3;Isopropylindol;2-isopropylindole;SCHEMBL336690;SCHEMBL2737274;DTXSID20170395;MFCD00956701;CS-0120645;FT-0740353;W-206249

Chemical Property of 2-Isopropyl-1H-indole

Chemical Property:

• Vapor Pressure: 0.00611mmHg at 25°C
• Boiling Point: 281.3°Cat760mmHg
• Flash Point: 117.2°C
• PSA: 15.79000
• Density: 1.047g/cm³
• LogP: 3.29130
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 159.104799419
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

98%min ^*data from raw suppliers

2-Isopropyl-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC2=CC=CC=C2N1

Technology Process of 2-Isopropyl-1H-indole

There total 42 articles about 2-Isopropyl-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: 99.0%

C15H14F3NO3 (1196835-10-5) → 2-isopropyl-1H-indole (17790-93-1)

Guidance literature:

C₁₅H₁₄F₃NO₃; With palladium on activated charcoal; triphenylphosphine; In tetrahydrofuran; at 110 ℃;

With hydrogen; In tetrahydrofuran; ethanol; at 20 ℃; for 2h;

DOI:10.1016/j.tet.2009.06.113

Reference yield: 96.0%

4,7-dihydro-1H-indole (26686-10-2) + acetone (67-64-1) → 2-isopropyl-1H-indole (17790-93-1)

Guidance literature:

With bismuth (III) nitrate pentahydrate; In acetonitrile; at 80 ℃;

DOI:10.1039/c6ra16192h

Reference yield: 95.0%

1-(2-aminophenyl)-3-methyl-2-butanol (65826-92-8) → 2-isopropyl-1H-indole (17790-93-1)

Guidance literature:

With 2,4,6-trimethylphenyl bromide; potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 150 ℃; for 2h;

DOI:10.3987/COM-07-11297

upstream raw materials:

3-methyl-butan-2-one

2-iodophenylamine

methanol

2-(1-Methoxy-1H-indol-2-yl)-propan-2-ol

Downstream raw materials:

(+)-(S)-2-isopropylindoline

Refernces

• 1、 Chung, Hyunho,Kim, Jeongyun,Gonzalez-Montiel, Gisela A.,Cheong, Paul Ha-Yeon,Lee, Hong Geun. "Modular counter-Fischer?indole synthesis through radical-enolate coupling". supporting information. p. 1096 - 1102. Retrieved 2021/01/26.
• 2、 -. "Method for synthesizing 2-substituted indole derivative under catalysis of copper". Paragraph 0031-0034. . Retrieved 2021/09/11.