3-Cyano-6-methoxy-4-phenylisoquinoline-1-carboxylic acid

Base Information

Chemical Name:3-Cyano-6-methoxy-4-phenylisoquinoline-1-carboxylic acid
CAS No.:849547-30-4
Molecular Formula:C18H12N2O3
Molecular Weight:304.305
Hs Code.:
DSSTox Substance ID:DTXSID30475500
Wikidata:Q82306073

Synonyms:849547-30-4;3-cyano-6-methoxy-4-phenylisoquinoline-1-carboxylic acid;SCHEMBL3120734;DTXSID30475500;PRAASIOWHGVOPL-UHFFFAOYSA-N;FT-0744535

Suppliers and Price of 3-Cyano-6-methoxy-4-phenylisoquinoline-1-carboxylic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 3-Cyano-6-methoxy-4-phenylisoquinoline-1-carboxylic acid

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:304.08479225
Heavy Atom Count:23
Complexity:480

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)C#N)C(=O)O

Technology Process of 3-Cyano-6-methoxy-4-phenylisoquinoline-1-carboxylic acid

There total 3 articles about 3-Cyano-6-methoxy-4-phenylisoquinoline-1-carboxylic acid 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: 85.0%

: 849546-11-8
6-methoxy-4-phenylisoquinoline-1,3-dicarbonitrile

: 849547-30-4
3-cyano-6-methoxy-4-phenylisoquinoline-1-carboxylic acid

Guidance literature:: 6-methoxy-4-phenylisoquinoline-1,3-dicarbonitrile; With sodium hydroxide; water; In ethanol; at 40 ℃; for 2h;

With hydrogenchloride; In ethanol; water; at 100 ℃; for 16h;

Reference yield:

: 849546-10-7
1-chloro-6-methoxy-4-phenylisoquinoline-3-carbonitrile

: 849547-30-4
3-cyano-6-methoxy-4-phenylisoquinoline-1-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / Zn / tris(dibezylideneacetone)-dipalladium ⁽⁰⁾ / N,N-dimethyl-acetamide / 120 °C

2: 80 percent / aq. NaOH / ethanol / 40 °C

With sodium hydroxide; zinc; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In ethanol; N,N-dimethyl acetamide;
DOI:10.1021/jm060927v

Reference yield:

: 849549-26-4
6-methoxy-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carbonitrile

: 849547-30-4
3-cyano-6-methoxy-4-phenylisoquinoline-1-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: phosphorus oxychloride / 90 °C

2: 90 percent / Zn / tris(dibezylideneacetone)-dipalladium ⁽⁰⁾ / N,N-dimethyl-acetamide / 120 °C

3: 80 percent / aq. NaOH / ethanol / 40 °C

With sodium hydroxide; zinc; trichlorophosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In ethanol; N,N-dimethyl acetamide;
DOI:10.1021/jm060927v