1-Chloro-4-(3-fluorophenyl)-6-methoxyisoquinoline-3-carbonitrile

Base Information

Chemical Name:1-Chloro-4-(3-fluorophenyl)-6-methoxyisoquinoline-3-carbonitrile
CAS No.:849546-48-1
Molecular Formula:C17H10ClFN2O
Molecular Weight:312.731
Hs Code.:
DSSTox Substance ID:DTXSID00459958
Wikidata:Q82283851

Synonyms:1-chloro-4-(3-fluorophenyl)-6-methoxyisoquinoline-3-carbonitrile;849546-48-1;SCHEMBL1386006;DTXSID00459958;IPZMXYVEWARUQQ-UHFFFAOYSA-N

Suppliers and Price of 1-Chloro-4-(3-fluorophenyl)-6-methoxyisoquinoline-3-carbonitrile

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 1-Chloro-4-(3-fluorophenyl)-6-methoxyisoquinoline-3-carbonitrile

Chemical Property:

XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:312.0465688
Heavy Atom Count:22
Complexity:440

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC2=C(C=C1)C(=NC(=C2C3=CC(=CC=C3)F)C#N)Cl

Technology Process of 1-Chloro-4-(3-fluorophenyl)-6-methoxyisoquinoline-3-carbonitrile

There total 4 articles about 1-Chloro-4-(3-fluorophenyl)-6-methoxyisoquinoline-3-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: 78.0%

: 849549-27-5
4-(3-fluorophenyl)-6-methoxy-1-oxo-1,2-dihydroisoquinoline-3-carbonitrile

: 849546-48-1
1-chloro-6-methoxy-4-(3-fluorophenyl)-isoquinoline-3-carbonitrile

Guidance literature:: With trichlorophosphate; at 90 ℃;
DOI:10.1021/jm060927v

Reference yield:

: 3-(3-fluorophenyl)-3-hydroxy-5-methoxy-2-benzofuran-1(3H)-one

: 849546-48-1
1-chloro-6-methoxy-4-(3-fluorophenyl)-isoquinoline-3-carbonitrile

Guidance literature:: Multi-step reaction with 4 steps

1.1: SOCl₂; dimethylformamide / 1,2-dichloro-ethane / Heating

2.1: 2,6-lutidine / toluene / Heating

2.2: NaOMe / methanol

3.1: 85 percent / triethylamine; formic acid; tetrakis(triphenylphosphine)-palladium ⁽⁰⁾ / dioxane / 100 °C

4.1: 78 percent / phosphorus oxychloride / 90 °C

With 2,6-dimethylpyridine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; formic acid; thionyl chloride; triethylamine; N,N-dimethyl-formamide; trichlorophosphate; In 1,4-dioxane; 1,2-dichloro-ethane; toluene;
DOI:10.1021/jm060927v

Reference yield:

: 1027899-86-0
3-chloro-3-(3-fluoro-phenyl)-5-methoxy-3H-isobenzofuran-1-one

: 849546-48-1
1-chloro-6-methoxy-4-(3-fluorophenyl)-isoquinoline-3-carbonitrile

Guidance literature:: Multi-step reaction with 3 steps

1.1: 2,6-lutidine / toluene / Heating

1.2: NaOMe / methanol

2.1: 85 percent / triethylamine; formic acid; tetrakis(triphenylphosphine)-palladium ⁽⁰⁾ / dioxane / 100 °C

3.1: 78 percent / phosphorus oxychloride / 90 °C

With 2,6-dimethylpyridine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; formic acid; triethylamine; trichlorophosphate; In 1,4-dioxane; toluene;
DOI:10.1021/jm060927v