1-benzyl-5-fluoro-1H-indole-3-carbaldehyde

Base Information

• Chemical Name: 1-benzyl-5-fluoro-1H-indole-3-carbaldehyde
• CAS No.: 728024-41-7
• Molecular Formula: C16H12FNO
• Molecular Weight: 253.27
• DSSTox Substance ID: DTXSID601220693
• Mol file: 728024-41-7.mol

Synonyms:1-benzyl-5-fluoro-1H-indole-3-carbaldehyde;728024-41-7;1-benzyl-5-fluoroindole-3-carbaldehyde;FEPHWPUFEZSGMM-UHFFFAOYSA-N;DTXSID601220693;MFCD06016170;AKOS005171747;LS-02843;CS-0315632;5-Fluoro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde;1H-Indole-3-carboxaldehyde, 5-fluoro-1-(phenylmethyl)-

Chemical Property of 1-benzyl-5-fluoro-1H-indole-3-carbaldehyde

Chemical Property:

• PSA: 22.00000
• LogP: 3.64120
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 253.090292168
• Heavy Atom Count: 19
• Complexity: 316

Purity/Quality:

98%min ^*data from raw suppliers

1-Benzyl-5-fluoro-1H-indole-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)F)C=O

Technology Process of 1-benzyl-5-fluoro-1H-indole-3-carbaldehyde

There total 3 articles about 1-benzyl-5-fluoro-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: 100.0%

5-fluoro-1H-indole-3-carbaldehyde (2338-71-8) + benzyl bromide (100-39-0) → 1-benzyl-5-fluoro-1H-indole-3-carbaldehyde (728024-41-7)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 5 ℃; for 0.5h;

DOI:10.1002/ardp.201600271

Reference yield:

5-fluoro-1H-indole-3-carbaldehyde (2338-71-8) → 1-benzyl-5-fluoro-1H-indole-3-carbaldehyde (728024-41-7)

Guidance literature:

5-fluoro-1H-indole-3-carbaldehyde; With dimethyl sulfoxide; potassium hydroxide; for 0.75h;

benzyl halide; at 20 ℃;

DOI:10.1002/chem.201101687

Reference yield:

5-fluoro-1H-indole (399-52-0) → 1-benzyl-5-fluoro-1H-indole-3-carbaldehyde (728024-41-7)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate / 0.5 h / 0 °C

2: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.5 h / 5 °C

With sodium hydride; trichlorophosphate; In N,N-dimethyl-formamide; mineral oil; 1: |Vilsmeier-Haack Formylation;

DOI:10.1002/ardp.201600271

upstream raw materials:

5-fluoro-1H-indole-3-carbaldehyde

benzyl bromide

5-fluoro-1H-indole

Downstream raw materials:

dimethyl 2-(1-benzyl-5-fluoro-1H-indol-3-yl)cyclopropane-1,1-dicarboxylate

dimethyl 2-[(1-benzyl-5-fluoro-1H-indol-3-yl)methylene]malonate

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