2-Fluoro-4-[1-(5-formyl-1H-imidazol-1-yl)ethyl]benzonitrile

Base Information

Chemical Name:2-Fluoro-4-[1-(5-formyl-1H-imidazol-1-yl)ethyl]benzonitrile
CAS No.:330186-88-4
Molecular Formula:C₁₃H₁₀FN₃O
Molecular Weight:243.24
Hs Code.:
DSSTox Substance ID:DTXSID901190021

Synonyms:SCHEMBL7936017;DTXSID901190021;2-Fluoro-4-[1-(5-formyl-1H-imidazol-1-yl)ethyl]benzonitrile;330186-88-4

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-Fluoro-4-[1-(5-formyl-1H-imidazol-1-yl)ethyl]benzonitrile

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:243.08079011
Heavy Atom Count:18
Complexity:353

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C1=CC(=C(C=C1)C#N)F)N2C=NC=C2C=O

Technology Process of 2-Fluoro-4-[1-(5-formyl-1H-imidazol-1-yl)ethyl]benzonitrile

There total 4 articles about 2-Fluoro-4-[1-(5-formyl-1H-imidazol-1-yl)ethyl]benzonitrile 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: 89.0%

: 440105-86-2
1-[1-(4-cyano-3-fluorophenyl)ethyl]-5-(hydroxymethyl)imidazole

: 330186-88-4
1-[1-(4-cyano-3-fluorophenyl)ethyl]-5-imidazolecarboxaldehyde

Guidance literature:: With pyridine-SO₃ complex; triethylamine; In dimethyl sulfoxide; for 0.5h;
DOI:10.1021/jm010531d

Reference yield:

: 101048-76-4
4-cyano-3-fluorobenzaldehyde

: 330186-88-4
1-[1-(4-cyano-3-fluorophenyl)ethyl]-5-imidazolecarboxaldehyde

Guidance literature:: Multi-step reaction with 4 steps

1.1: 74 percent / tetrahydrofuran; diethyl ether / 1 h / -78 °C

2.1: Tf₂O; DIEA / CH₂Cl₂ / 18 h / -78 - 0 °C

2.2: 92 percent / methanol / 3 h / Heating

3.1: 87 percent / TBAF / tetrahydrofuran / 1 h

4.1: 89 percent / SO₃-pyridine complex; Et₃N / dimethylsulfoxide / 0.5 h

With pyridine-SO₃ complex; trifluoromethylsulfonic anhydride; tetrabutyl ammonium fluoride; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; diethyl ether; dichloromethane; dimethyl sulfoxide;
DOI:10.1021/jm010531d

Reference yield:

: 440105-59-9
2-fluoro-4-(1-hydroxyethyl)benzonitrile

: 330186-88-4
1-[1-(4-cyano-3-fluorophenyl)ethyl]-5-imidazolecarboxaldehyde

Guidance literature:: Multi-step reaction with 3 steps

1.1: Tf₂O; DIEA / CH₂Cl₂ / 18 h / -78 - 0 °C

1.2: 92 percent / methanol / 3 h / Heating

2.1: 87 percent / TBAF / tetrahydrofuran / 1 h

3.1: 89 percent / SO₃-pyridine complex; Et₃N / dimethylsulfoxide / 0.5 h

With pyridine-SO₃ complex; trifluoromethylsulfonic anhydride; tetrabutyl ammonium fluoride; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dichloromethane; dimethyl sulfoxide;
DOI:10.1021/jm010531d