5-Bromo-1-isopropyl-1H-indole

Base Information

• Chemical Name: 5-Bromo-1-isopropyl-1H-indole
• CAS No.: 675827-10-8
• Molecular Formula: C11H12BrN
• Molecular Weight: 238.127
• Hs Code.: 2933990090
• European Community (EC) Number: 801-881-1
• DSSTox Substance ID: DTXSID50404796
• Wikidata: Q82209128
• Mol file: 675827-10-8.mol

Synonyms:5-BROMO-1-ISOPROPYL-1H-INDOLE;675827-10-8;5-bromo-1-propan-2-ylindole;SCHEMBL15712255;DTXSID50404796;NCPAGYRFULVTEU-UHFFFAOYSA-N;MFCD04341443;AKOS015834780;BS-24596;CS-0454842

Chemical Property of 5-Bromo-1-isopropyl-1H-indole

Chemical Property:

• Boiling Point: 311.8±15.0 °C(Predicted)
• PSA: 4.93000
• Density: 1.36±0.1 g/cm3(Predicted)
• LogP: 3.98470
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 237.01531
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-1-isopropyl-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C=CC2=C1C=CC(=C2)Br

Technology Process of 5-Bromo-1-isopropyl-1H-indole

There total 2 articles about 5-Bromo-1-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: 82.0%

2-iodo-propane (75-30-9) + 5-bromo-1H-indole (10075-50-0) → 5-bromo-1-isopropyl-1H-indole (675827-10-8)

Guidance literature:

5-bromo-1H-indole; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

2-iodo-propane; In N,N-dimethyl-formamide; at 0 - 20 ℃;

Reference yield: 66.0%

5-bromo-1H-indole (10075-50-0) + isopropyl bromide (75-26-3) → 5-bromo-1-isopropyl-1H-indole (675827-10-8)

Guidance literature:

With potassium hydroxide; In N,N-dimethyl-formamide; at 70 ℃; for 10h; Inert atmosphere;

Reference yield: 75.0%

5-bromo-1-isopropyl-1H-indole (675827-10-8) + benzoic acid hydrazide (613-94-5) → (E)-N'-(5-bromo-1-isopropyl-3-oxoindolin-2-ylidene)benzohydrazide

Guidance literature:

With (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; oxygen; tetra-(n-butyl)ammonium iodide; In acetonitrile; at 20 ℃; for 24h; regioselective reaction; Irradiation;

DOI:10.1021/acs.orglett.9b00887

upstream raw materials:

2-iodo-propane

5-bromo-1H-indole

isopropyl bromide

Downstream raw materials:

C₂₁H₂₀N₄O