1-(4-fluorobenzyl)-1H-indole-3-carbaldehyde

Base Information

• Chemical Name: 1-(4-fluorobenzyl)-1H-indole-3-carbaldehyde
• CAS No.: 192997-23-2
• Molecular Formula: C16H12 F N O
• Molecular Weight: 253.276
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50356140
• Wikidata: Q82135336
• ChEMBL ID: CHEMBL1586862
• Mol file: 192997-23-2.mol

Synonyms:1-(4-fluorobenzyl)-1H-indole-3-carbaldehyde;192997-23-2;1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde;1-(4-Fluoro-benzyl)-1H-indole-3-carbaldehyde;MLS000709271;SMR000289938;Opera_ID_1129;SCHEMBL8690446;CHEMBL1586862;DTXSID50356140;HMS2606O08;BBL012530;MFCD02070802;STK281851;AKOS000111558;VS-03374;BB 0217527;CS-0313048;AN-648/13413003;SR-01000323896;SR-01000323896-1;1-[(4-fluorophenyl)methyl]-1H-indole-3-carbaldehyde;1h-indole-3-carboxaldehyde, 1-[(4-fluorophenyl)methyl]-

Chemical Property of 1-(4-fluorobenzyl)-1H-indole-3-carbaldehyde

Chemical Property:

• Vapor Pressure: 4.45E-08mmHg at 25°C
• Melting Point: 116-117 °C
• Refractive Index: 1.595
• Boiling Point: 443.9°C at 760 mmHg
• Flash Point: 222.3°C
• PSA: 22.00000
• Density: 1.17g/cm³
• LogP: 3.64120
• 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: 314

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Fluorobenzyl)-1H-indole-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-fluorobenzyl)-1H-indole-3-carbaldehyde

There total 8 articles about 1-(4-fluorobenzyl)-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: 86.0%

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) → 1?(4?fluorobenzyl)?1H?indole?3?carbaldehyde (192997-23-2)

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: 80.0%

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) + 1-chloromethyl-4-fluorobenzene (352-11-4) → 1?(4?fluorobenzyl)?1H?indole?3?carbaldehyde (192997-23-2)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 90 ℃;

DOI:10.1016/S0223-5234(99)80044-0

Reference yield: 76.0%

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) + 4-Fluorobenzyl bromide (459-46-1) → 1?(4?fluorobenzyl)?1H?indole?3?carbaldehyde (192997-23-2)

Guidance literature:

Indole-3-carboxaldehyde; With caesium carbonate; In acetonitrile; at 60 ℃; for 2h;

4-Fluorobenzyl bromide; In acetonitrile; at 60 ℃; for 1h;

DOI:10.1016/j.bmc.2014.02.028

upstream raw materials:

Indole-3-carboxaldehyde

1-chloromethyl-4-fluorobenzene

4-Fluorobenzyl bromide

indole

Downstream raw materials:

1-(3-fluorophenylmethyl)-1H-indole-3-methanol

1-(p-fluorobenzyl)-1H-indole-3-carboxylic acid

1-(4-fluorobenzyl)-3-(1-hydroxyethyl)-1H-indole

3-[1-(4-fluoro-benzyl)-1H-indol-3-yl]-acrylic acid ethyl ester

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