1H-Indole, 3-(1H-imidazol-1-ylmethyl)-

Base Information

• Chemical Name: 1H-Indole, 3-(1H-imidazol-1-ylmethyl)-
• CAS No.: 19714-15-9
• Molecular Formula: C12H11N3
• Molecular Weight: 197.23600
• DSSTox Substance ID: DTXSID40355147
• Nikkaji Number: J482.024J
• Wikidata: Q82133832
• Pharos Ligand ID: C3XHJT6B5G6V
• ChEMBL ID: CHEMBL116794

Synonyms:19714-15-9;1H-Indole, 3-(1H-imidazol-1-ylmethyl)-;3-Imidazol-1-ylmethyl-1H-indole;3-((1H-imidazol-1-yl)methyl)-1H-indole;3-(imidazol-1-ylmethyl)-1H-indole;CHEMBL116794;3-(imidazol-1-ylmethyl)-1~{H}-indole;MLS000105265;3-(1H-imidazol-1-ylmethyl)-1H-Indole;Cambridge id 5261471;CBDivE_013805;3-(imidazol-1-ylmethyl)indole;SCHEMBL9214699;DTXSID40355147;FRADTKAUXQUOIJ-UHFFFAOYSA-N;HMS2390H20;BDBM50022120;STL564686;AKOS030489795;PD181420;SMR000102146;QWB

Chemical Property of 1H-Indole, 3-(1H-imidazol-1-ylmethyl)-

Chemical Property:

• PSA: 33.61000
• LogP: 2.41270
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 197.095297364
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

3-(1H-imidazol-1-ylmethyl)-1H-Indole 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CN3C=CN=C3

Technology Process of 1H-Indole, 3-(1H-imidazol-1-ylmethyl)-

There total 7 articles about 1H-Indole, 3-(1H-imidazol-1-ylmethyl)- 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: 94.0%

1-benzenesulfonyl-3-(1H-imidazol-1-ylmethyl)indole (143703-41-7) → 3-(1H-imidazol-1-ylmethyl)-1H-indole (19714-15-9)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 6h; Heating;

Reference yield: 60.0%

indole-3-carbinol (700-06-1) + 1,1'-carbonyldiimidazole (530-62-1) → 3-(1H-imidazol-1-ylmethyl)-1H-indole (19714-15-9)

Guidance literature:

In tetrahydrofuran; for 5h; Heating;

DOI:10.1055/s-2004-831215

Reference yield:

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) → 3-(1H-imidazol-1-ylmethyl)-1H-indole (19714-15-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 57 percent / NaBH₄ / methanol / 1 h / Ambient temperature

2: 54 percent / tetrahydrofuran / 3 h / Ambient temperature

With sodium tetrahydroborate; In tetrahydrofuran; methanol;

DOI:10.1002/ardp.19973300506

upstream raw materials:

1-benzenesulfonyl-3-(1H-imidazol-1-ylmethyl)indole

indole-3-carbinol

1,1'-carbonyldiimidazole

Indole-3-carboxaldehyde

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