3-isopropyl-1H-indole

Base Information

• Chemical Name: 3-isopropyl-1H-indole
• CAS No.: 16886-00-3
• Molecular Formula: C11H13 N
• Molecular Weight: 159.231
• Hs Code.: 2933990090
• European Community (EC) Number: 845-527-4
• Nikkaji Number: J1.380.362E
• Mol file: 16886-00-3.mol

Synonyms:3-isopropyl-1H-indole;16886-00-3;3-(propan-2-yl)-1H-indole;1H-Indole,3-(1-methylethyl)-(9CI);3-propan-2-yl-1H-indole;3-isopropylindole;3-Isopropylindol;3-isopropyl indole;SCHEMBL255420;3-(1-Methylethyl)-1H-indole;ZFDQHODXVZRPFG-UHFFFAOYSA-N;MFCD18809041;AKOS027399990;AS-76709;CS-0163316;D94911;EN300-184005;Z1262562313

Chemical Property of 3-isopropyl-1H-indole

Chemical Property:

• Melting Point: 117.5 °C
• Boiling Point: 155-160 °C(Press: 20 Torr)
• PKA: 17.17±0.30(Predicted)
• PSA: 15.79000
• Density: 1.047±0.06 g/cm3(Predicted)
• LogP: 3.29130
• XLogP3: 3.4
• 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:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CNC2=CC=CC=C21

Technology Process of 3-isopropyl-1H-indole

There total 38 articles about 3-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: 78.0%

indole (120-72-9) + acetone (67-64-1) → 3-isopropyl indole (16886-00-3)

Guidance literature:

With triethylsilane; trichloroacetic acid; In toluene; at 70 - 90 ℃; for 2.5h;

Reference yield: 77.0%

3-(2-propyl)-1-(p-toluenesulfonyl)indole (727416-64-0) → 3-isopropyl indole (16886-00-3)

Guidance literature:

With sodium hydroxide; ethanol; water; at 20 - 90 ℃;

Reference yield: 76.0%

2-iodo-N-(3-methylbut-2-en-1-yl)aniline (73396-88-0) → 3-isopropyl indole (16886-00-3)

Guidance literature:

With caesium carbonate; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; 1,3-bis(2,6-diisopropylphenyl)imidazolinium; In dimethyl amine; at 140 ℃; for 2h;

DOI:10.1016/S0040-4039(02)02340-7

upstream raw materials:

indole

isopropyl alcohol

isovaleraldehyde phenylhydrazone

(E)-3-Ureido-but-2-enoic acid ethyl ester

Downstream raw materials:

3-acetylindole

1-(3-(1-tert-butoxycarbonyl)indolyl)-1-ethanone