5-(((4-Cyanophenyl)(1-methyl-1h-imidazol-5-yl)methoxy)methyl)-6-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carbonitrile

Base Information

Chemical Name:5-(((4-Cyanophenyl)(1-methyl-1h-imidazol-5-yl)methoxy)methyl)-6-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carbonitrile
CAS No.:450839-23-3
Molecular Formula:C₂₆H₁₇F₂N₅O₃
Molecular Weight:485.449
Hs Code.:
UNII:85E6V30U4T
Nikkaji Number:J2.055.091K
Wikidata:Q27269634
ChEMBL ID:CHEMBL41951

Synonyms:85E6V30U4T;A-373857;CHEMBL41951;UNII-85E6V30U4T;5-(((4-cyanophenyl)(1-methyl-1h-imidazol-5-yl)methoxy)methyl)-6-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carbonitrile;2-Pyridinecarbonitrile, 5-(((4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy)methyl)-6-(2,2-difluoro-1,3-benzodioxol-5-yl)-;450839-23-3;SCHEMBL5094156;ZIBOWPSGINTRQG-UHFFFAOYSA-N;BDBM50127321;Q27269634;5-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-6-(2,2-difluoro-benzo[1,3]dioxol-5-yl)-pyridine-2-carbonitrile;5-[alpha-(1-Methyl-1H-imidazole-5-yl)-4-cyanobenzyloxymethyl]-6-(2,2-difluoro-1,3-benzodioxole-5-yl)pyridine-2-carbonitrile

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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 5-(((4-Cyanophenyl)(1-methyl-1h-imidazol-5-yl)methoxy)methyl)-6-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carbonitrile

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:485.12994575
Heavy Atom Count:36
Complexity:866

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1C=NC=C1C(C2=CC=C(C=C2)C#N)OCC3=C(N=C(C=C3)C#N)C4=CC5=C(C=C4)OC(O5)(F)F

Technology Process of 5-(((4-Cyanophenyl)(1-methyl-1h-imidazol-5-yl)methoxy)methyl)-6-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carbonitrile

There total 9 articles about 5-(((4-Cyanophenyl)(1-methyl-1h-imidazol-5-yl)methoxy)methyl)-6-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carbonitrile 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:

: 450844-31-2
6-bromo-5-(((4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy)methyl)pyridine-2-carbonitrile

: 450839-23-3
5-(((4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy)methyl)-6-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carbonitrile

Guidance literature:: With sodium carbonate; Pd(PPh₃)4; In ethanol; toluene;

Reference yield:

: 3430-17-9
2-bromo-3-picoline

: 450839-23-3
5-(((4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy)methyl)-6-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carbonitrile

Guidance literature:: Multi-step reaction with 5 steps

1: 47 percent / mCPBA / CH₂Cl₂ / 20 °C

2: 31 percent / dimethylcarbamyl chloride / 1,2-dichloro-ethane / Heating

3: NBS; AIBN / CCl₄ / Heating

4: Ag₂O / CH₂Cl₂ / 20 °C

5: Pd(PPh₃)4; 2 N aq. Na₂CO₃ / toluene; ethanol / Heating

With N-Bromosuccinimide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; 2,2'-azobis(isobutyronitrile); sodium carbonate; 3-chloro-benzenecarboperoxoic acid; silver(l) oxide; N,N-Dimethylcarbamoyl chloride; In tetrachloromethane; ethanol; dichloromethane; 1,2-dichloro-ethane; toluene; 5: Suzuki coupling;
DOI:10.1016/S0960-894X(03)00195-1

Reference yield:

: 105-07-7
4-cyanobenzaldehyde

: 450839-23-3
5-(((4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy)methyl)-6-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carbonitrile

Guidance literature:: Multi-step reaction with 3 steps

1.1: t-BuLi / tetrahydrofuran / -78 °C

1.2: 79 percent / tetrahydrofuran

2.1: Ag₂O / CH₂Cl₂ / 20 °C

3.1: Pd(PPh₃)4; 2 N aq. Na₂CO₃ / toluene; ethanol / Heating

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; tert.-butyl lithium; sodium carbonate; silver(l) oxide; In tetrahydrofuran; ethanol; dichloromethane; toluene; 3.1: Suzuki coupling;
DOI:10.1016/S0960-894X(03)00195-1