1-[(2-Bromophenyl)methyl]-1H-indole-3-carbaldehyde

Base Information

• Chemical Name: 1-[(2-Bromophenyl)methyl]-1H-indole-3-carbaldehyde
• CAS No.: 171734-73-9
• Molecular Formula: C16H12BrNO
• Molecular Weight: 314.181
• DSSTox Substance ID: DTXSID90570126
• Nikkaji Number: J676.050C
• Wikidata: Q82457476
• Mol file: 171734-73-9.mol

Synonyms:171734-73-9;1-[(2-Bromophenyl)methyl]-1H-indole-3-carbaldehyde;1-(2-Bromobenzyl)-1H-indole-3-carbaldehyde;1-[(2-BROMOPHENYL)METHYL]INDOLE-3-CARBALDEHYDE;DTXSID90570126;AKOS013808739

Chemical Property of 1-[(2-Bromophenyl)methyl]-1H-indole-3-carbaldehyde

Chemical Property:

• PSA: 22.00000
• LogP: 4.26460
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 313.01023
• Heavy Atom Count: 19
• Complexity: 322

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=O)Br

Technology Process of 1-[(2-Bromophenyl)methyl]-1H-indole-3-carbaldehyde

There total 8 articles about 1-[(2-Bromophenyl)methyl]-1H-indole-3-carbaldehyde 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: 95.0%

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) + 1-Bromo-2-bromomethyl-benzene (3433-80-5) → 1-(2-bromobenzyl)-1H-indole-3-carboxaldehyde (171734-73-9)

Guidance literature:

With caesium carbonate; In acetonitrile; for 3h; Heating;

Reference yield: 89.0%

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) → 1-(2-bromobenzyl)-1H-indole-3-carboxaldehyde (171734-73-9)

Guidance literature:

Indole-3-carboxaldehyde; With sodium hydride; at 0 ℃;

With water; for 2h; Cooling with ice;

DOI:10.1080/00397911.2019.1674334

Reference yield: 55.0%

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) → 1-(2-bromobenzyl)-1H-indole-3-carboxaldehyde (171734-73-9)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; for 20h; Ambient temperature;

upstream raw materials:

Indole-3-carboxaldehyde

1-Bromo-2-bromomethyl-benzene

1-<2-(2-bromophenyl)-2-oxoethyl>-1H-indole-3-carboxaldehyde

1-<2-(2-bromophenyl)-1-oxoethyl>-1H-indole-3-carboxaldehyde

Downstream raw materials:

C₂₀H₁₇BrN₄O

(Z)-5-((1-(2-bromobenzyl)-1H-indol-3-yl)methylene)-imidazolidine-2,4-dione

C₂₀H₁₄BrN₃O₃

C₂₂H₁₈BrN₃O₃

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