1-(3-nitrobenzyl)-1H-indole-3-carbaldehyde

Base Information

• Chemical Name: 1-(3-nitrobenzyl)-1H-indole-3-carbaldehyde
• CAS No.: 591210-47-8
• Molecular Formula: C₁₆H₁₂N₂O₃
• Molecular Weight: 280.283
• DSSTox Substance ID: DTXSID401218014
• ChEMBL ID: CHEMBL1346147
• Mol file: 591210-47-8.mol

Synonyms:1-(3-nitrobenzyl)-1H-indole-3-carbaldehyde;1-[(3-nitrophenyl)methyl]indole-3-carbaldehyde;MLS000681232;591210-47-8;SMR000269487;1H-Indole-3-carboxaldehyde,1-[(3-nitrophenyl)methyl]-(9CI);Oprea1_238489;Oprea1_583319;cid_883348;SCHEMBL4352711;CHEMBL1346147;BDBM93995;DTXSID401218014;HMS2558I17;STL416820;AKOS000289133;1-(3-nitrobenzyl)indole-3-carbaldehyde;CS-0117352;1-[(3-nitrophenyl)methyl]-3-indolecarboxaldehyde;SR-01000236984;SR-01000236984-1;1-[(3-Nitrophenyl)methyl]-1H-indole-3-carboxaldehyde

Chemical Property of 1-(3-nitrobenzyl)-1H-indole-3-carbaldehyde

Chemical Property:

• PSA: 67.82000
• LogP: 3.93350
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 280.08479225
• Heavy Atom Count: 21
• Complexity: 396

Purity/Quality:

1-(3-NITROBENZYL)-1H-INDOLE-3-CARBALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)[N+](=O)[O-])C=O

Technology Process of 1-(3-nitrobenzyl)-1H-indole-3-carbaldehyde

There total 1 articles about 1-(3-nitrobenzyl)-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:

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) + 3-Nitrobenzyl chloride (619-23-8) → 1-[(3-nitrophenyl)methyl]-1H-indole-3-carboxaldehyde (591210-47-8)

Guidance literature:

Indole-3-carboxaldehyde; With sodium hydride; In dimethyl sulfoxide; mineral oil; at 20 ℃; for 1h;

3-Nitrobenzyl chloride; In dimethyl sulfoxide; mineral oil; at 20 ℃;

DOI:10.1021/jm101417n

Reference yield:

1-[(3-nitrophenyl)methyl]-1H-indole-3-carboxaldehyde (591210-47-8) → 1-[(3-nitrophenyl)methyl]-1H-indole-3-methanol (678182-31-5)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; Cooling with ice;

DOI:10.1021/jm101417n

upstream raw materials:

Indole-3-carboxaldehyde

3-Nitrobenzyl chloride

Downstream raw materials:

1-[(3-nitrophenyl)methyl]-1H-indole-3-methanol