3-iodo-5-methoxy-1H-indole

Base Information

• Chemical Name: 3-iodo-5-methoxy-1H-indole
• CAS No.: 85092-86-0
• Molecular Formula: C9H8INO
• Molecular Weight: 273.073
• DSSTox Substance ID: DTXSID801311383
• Mol file: 85092-86-0.mol

Synonyms:3-iodo-5-methoxy-1H-indole;85092-86-0;SCHEMBL13302210;TQP1285;DTXSID801311383;MFCD13177500;AKOS017560427;FT-0765057;D84482;A1-32571

Chemical Property of 3-iodo-5-methoxy-1H-indole

Chemical Property:

• PSA: 25.02000
• LogP: 2.78110
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 272.96506
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

3-Iodo-5-methoxy-1H-indole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)NC=C2I

Technology Process of 3-iodo-5-methoxy-1H-indole

There total 1 articles about 3-iodo-5-methoxy-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: 97.0%

5-methoxylindole (1006-94-6) → 3-iodo-5-methoxy-1H-indole (85092-86-0)

Guidance literature:

With potassium hydroxide; iodine; In N,N-dimethyl-formamide; Ambient temperature;

DOI:10.1055/s-1982-30087

Reference yield: 98.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-iodo-5-methoxy-1H-indole (85092-86-0) → 3-iodo-5-methoxyindole-1-carboxylic acid tert-butyl ester (192189-10-9)

Guidance literature:

With dmap; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4020(00)00773-0

Reference yield: 75.0%

benzyl bromide (100-39-0) + 3-iodo-5-methoxy-1H-indole (85092-86-0) → 1-benzyl-3-iodo-5-methoxy-1H-indole

Guidance literature:

3-iodo-5-methoxy-1H-indole; With potassium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 0.5h;

benzyl bromide; In dimethyl sulfoxide; for 2h;

DOI:10.1021/ol501967c

upstream raw materials:

5-methoxylindole

Downstream raw materials:

3-iodo-5-methoxyindole-1-carboxylic acid tert-butyl ester

3-iodo-5-methoxy-1-[(4-methylphenyl)sulphonyl]-1H-indole

tert-butyl 5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-indole-1-carboxylate

3-(2-(2,2-dibromovinyl)phenyl)-5-methoxy-1-tosyl-1H-indole