1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde

Base Information

• Chemical Name: 1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde
• CAS No.: 192997-17-4
• Molecular Formula: C16H12 F N O
• Molecular Weight: 253.276
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10354526
• Wikidata: Q82132727
• ChEMBL ID: CHEMBL1567269
• Mol file: 192997-17-4.mol

Synonyms:1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde;192997-17-4;1-(2-Fluoro-benzyl)-1H-indole-3-carbaldehyde;1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde;1-[(2-fluorophenyl)methyl]-1H-indole-3-carbaldehyde;CBMicro_011637;Cambridge id 5795805;MLS000693604;SCHEMBL4357272;CHEMBL1567269;DTXSID10354526;HMS2626E17;SMSF0007860;BBL015258;MFCD02209555;STK415207;AKOS000111559;CB14801;1-(2-fluorobenzyl)indole-3-carbaldehyde;SMR000285469;VS-04867;BIM-0011707.P001;BB 0217528;CS-0313049;FT-0677104;1H-Indole-3-carboxaldehyde, 1-[(2-fluorophenyl)methyl]-

Chemical Property of 1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde

Chemical Property:

• Vapor Pressure: 6.39E-08mmHg at 25°C
• Melting Point: 95-97 °C(Solv: ethyl ether (60-29-7))
• Boiling Point: 439.4°Cat760mmHg
• Flash Point: 219.5°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: 322

Purity/Quality:

97% ^*data from raw suppliers

1-(2-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=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=O)F

Technology Process of 1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde

There total 6 articles about 1-(2-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: 88.0%

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) + 2-fluorobenzyl chloride (345-35-7) → 1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde (192997-17-4)

Guidance literature:

Indole-3-carboxaldehyde; With caesium carbonate; In acetonitrile; for 2h; Heating / reflux;

2-fluorobenzyl chloride; In acetonitrile; for 1h; Heating / reflux;

Reference yield: 83.0%

o-fluorobenzyl bromide (446-48-0) + Indole-3-carboxaldehyde (487-89-8,1228547-52-1) → 1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde (192997-17-4)

Guidance literature:

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

o-fluorobenzyl bromide; In acetonitrile; at 60 ℃; for 1h;

DOI:10.1016/j.bmc.2014.02.028

Reference yield:

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) → 1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde (192997-17-4)

Guidance literature:

Indole-3-carboxaldehyde; With potassium carbonate; In dimethyl sulfoxide; for 0.0833333h;

2-fluorobenzyl halide; In dimethyl sulfoxide;

DOI:10.1111/cbdd.12230

upstream raw materials:

Indole-3-carboxaldehyde

2-fluorobenzyl chloride

o-fluorobenzyl bromide

indole

Downstream raw materials:

C₁₉H₁₄FN₃OS

1-(2-fluorobenzyl)indole-3-carboxaldehyde thiocarbohydrazone

(E)-3-(1-(2-fluorobenzyl)-1H-indol-3-yl)-1-(5-methoxy-2,2-dimethyl-2H-chromen-8-yl)prop-2-en-1-one

C₂₉H₂₉FN₆O₂S

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