5-Bromo-7-iodo-1H-indole

Base Information

• Chemical Name: 5-Bromo-7-iodo-1H-indole
• CAS No.: 123020-20-2
• Molecular Formula: C22H44 N2
• Molecular Weight: 321.943
• European Community (EC) Number: 622-886-3
• DSSTox Substance ID: DTXSID90559759
• Wikidata: Q82442599
• Mol file: 123020-20-2.mol

Synonyms:5-Bromo-7-iodo-1H-indole;123020-20-2;5-Bromo-7-iodoindole;5-Bromo-7-iodoindole, 97%;1H-Indole, 5-bromo-7-iodo-;SCHEMBL26389475;AMY7397;DTXSID90559759;AKOS022172922;CS-0443099;G61061;A890864;J-004883

Chemical Property of 5-Bromo-7-iodo-1H-indole

Chemical Property:

• Melting Point: 80-84 °C
• Boiling Point: 394.5±27.0 °C(Predicted)
• PKA: 14.54±0.30(Predicted)
• PSA: 15.79000
• Density: 2.297±0.06 g/cm3(Predicted)
• LogP: 3.53500
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 320.86501
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-7-iodoindole 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC2=C(C=C(C=C21)Br)I

Technology Process of 5-Bromo-7-iodo-1H-indole

There total 1 articles about 5-Bromo-7-iodo-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: 65.0%

→ 5-bromo-7-iodoindole (123020-20-2)

Guidance literature:

With sulfuric acid; potassium iodide; sodium nitrite; at 0 - 58 ℃; for 0.5h;

Reference yield: 76.0%

5-bromo-7-iodoindole (123020-20-2) + cis-1,2-diphenyloxirane (1689-71-0) → (1R,2R)-2-(5-bromo-7-iodo-3-indolyl)-1,2-diphenylethanol

Guidance literature:

With iron(II) perchlorate hexahydrate; (S, S)-6,6’-bis(1-hydroxy-2,2-dimethylpropyl)-2,2’-bipyridine; In dichloromethane; at 22 ℃; for 20h; enantioselective reaction; Inert atmosphere; Molecular sieve;

DOI:10.1039/c3ob41782d

Reference yield: 68.0%

carbon monoxide (201230-82-2) + 5-bromo-7-iodoindole (123020-20-2) + aniline (62-53-3) → 5-bromo-7-(N-phenylcarboxamido)indole + 5-bromo-7-(N-phenylglyoxylamido)indole

Guidance literature:

With palladium diacetate; triethylamine; triphenylphosphine; In N,N-dimethyl-formamide; at 50 ℃; for 24h; under 30003 Torr; Autoclave;

DOI:10.1016/j.tet.2015.11.007

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