4-Bromo-2,3-dihydro-1H-Indole

Base Information

• Chemical Name: 4-Bromo-2,3-dihydro-1H-Indole
• CAS No.: 86626-38-2
• Molecular Formula: C8H8BrN
• Molecular Weight: 198.062
• Hs Code.: 2933990090
• European Community (EC) Number: 815-575-0
• DSSTox Substance ID: DTXSID10518085
• Wikidata: Q72454637
• Mol file: 86626-38-2.mol

Synonyms:4-Bromoindoline;86626-38-2;4-Bromo-2,3-dihydro-1H-Indole;MFCD07371633;1H-Indole, 4-bromo-2,3-dihydro-;SCHEMBL326593;DTXSID10518085;YCJCSDSXVHEBRU-UHFFFAOYSA-N;AKOS006285577;CS-W006183;FS-3331;SB39168;AC-27798;BL008582;SY012369;AM20041267;EN300-136865;A841744;Q-102592;Z1198172382;1H-indole, 4-bromo-2,3-dihydro-;4-Bromo-2,3-dihydro-1h-indole

Chemical Property of 4-Bromo-2,3-dihydro-1H-Indole

Chemical Property:

• Boiling Point: 278.845 °C at 760 mmHg
• PKA: 4.20±0.20(Predicted)
• Flash Point: 122.442 °C
• PSA: 12.03000
• Density: 1.515 g/cm³
• LogP: 2.55510
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 196.98401
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

97% ^*data from raw suppliers

4-Bromoindoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2=C1C(=CC=C2)Br

Technology Process of 4-Bromo-2,3-dihydro-1H-Indole

There total 5 articles about 4-Bromo-2,3-dihydro-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: 98.0%

3-((4-bromobut-3-yn-1-yl)amino)-2H-pyran-2-one → 4-bromo-2,3-dihydro-1H-indole (86626-38-2)

Guidance literature:

With potassium carbonate; at 200 ℃; for 1h; Inert atmosphere; Sealed tube;

DOI:10.1002/chem.202004107

Reference yield: 91.0%

4-bromo-1H-indole (52488-36-5) → 4-bromo-2,3-dihydro-1H-indole (86626-38-2)

Guidance literature:

With sodium cyanoborohydride; acetic acid; at 20 ℃; for 4h; Cooling with ice;

Reference yield: 45.0%

4-bromoindolin-2-one (99365-48-7) → 4-bromo-2,3-dihydro-1H-indole (86626-38-2)

Guidance literature:

4-bromoindolin-2-one; With borane-THF; In tetrahydrofuran; at 20 ℃;

With hydrogenchloride; methanol; water; In tetrahydrofuran; at 0 - 20 ℃; for 1h;

With sodium hydroxide; In tetrahydrofuran; methanol; water; pH=8 - 9;

upstream raw materials:

1-indoline

4-bromo-1H-indole

4-bromoindolin-2-one

indole

Downstream raw materials:

4-bromo-1-(4-fluorobenzyl)indoline

C₁₉H₁₈N₂O₃

1-(3-(4-fluorophenoxy)-2(S)-hydroxy-2-methylpropanoyl)indoline-4-carbonitrile

C₁₉H₁₇FN₂O₃