4-[(3-formyl-1H-indol-1-yl)methyl]benzonitrile

Base Information

• Chemical Name: 4-[(3-formyl-1H-indol-1-yl)methyl]benzonitrile
• CAS No.: 340319-18-8
• Molecular Formula: C₁₇H₁₂N₂O
• Molecular Weight: 260.295
• DSSTox Substance ID: DTXSID401327542
• ChEMBL ID: CHEMBL1530488
• Mol file: 340319-18-8.mol

Synonyms:340319-18-8;4-[(3-formyl-1H-indol-1-yl)methyl]benzonitrile;4-[(3-formylindol-1-yl)methyl]benzonitrile;ASISCHEM V87628;4-((3-formyl-1H-indol-1-yl)methyl)benzonitrile;4-(3-Formyl-indol-1-ylmethyl)-benzonitrile;Oprea1_745265;MLS001205475;SCHEMBL3153751;CHEMBL1530488;SDRLOLMVFBYXQU-UHFFFAOYSA-N;DTXSID401327542;HMS2833B23;BBL025732;STL371714;AKOS000112555;SMR000523691;VS-08068

Chemical Property of 4-[(3-formyl-1H-indol-1-yl)methyl]benzonitrile

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 260.094963011
• Heavy Atom Count: 20
• Complexity: 391

Purity/Quality:

99% ^*data from raw suppliers

4-[(3-FORMYL-1H-INDOL-1-YL)METHYL]-BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)C#N)C=O

Technology Process of 4-[(3-formyl-1H-indol-1-yl)methyl]benzonitrile

There total 6 articles about 4-[(3-formyl-1H-indol-1-yl)methyl]benzonitrile 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: 81.0%

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) + 4-cyanobenzyl bromide (17201-43-3) → 4-[(3-formyl-1H-indol-1-yl)methyl]benzonitrile (340319-18-8)

Guidance literature:

With hydrogen; sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1021/jm4010187

Reference yield:

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) → 4-[(3-formyl-1H-indol-1-yl)methyl]benzonitrile (340319-18-8)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.bmcl.2013.12.013

Reference yield:

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) + 4-cyanobenzyl chloride (874-86-2) → 4-[(3-formyl-1H-indol-1-yl)methyl]benzonitrile (340319-18-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1248/cpb.c12-00342

upstream raw materials:

Indole-3-carboxaldehyde

4-cyanobenzyl bromide

4-cyanobenzyl chloride

Downstream raw materials:

C₂₁H₁₇N₅O

(Z)-4-((3-((2,5-dioxoimidazolidin-4-ylidene)methyl)-1H-indol-1-yl)methyl)benzonitrile

YTR-107

(E)-3-(1-(4-cyanobenzyl)-1H-indol-3-yl)acrylic acid