Methyl 1-(2-chlorophenyl)isoquinoline-3-carboxylate

Base Information

Chemical Name:Methyl 1-(2-chlorophenyl)isoquinoline-3-carboxylate
CAS No.:439614-63-8
Molecular Formula:C₁₇H₁₂ClNO₂
Molecular Weight:297.741
Hs Code.:
DSSTox Substance ID:DTXSID401221552
Nikkaji Number:J1.738.301I

Synonyms:Methyl 1-(2-chlorophenyl)isoquinoline-3-carboxylate;439614-63-8;DTXSID401221552;Methyl 1-(2-chlorophenyl)-3-isoquinolinecarboxylate;1-(2-Chlorophenyl)isoquinoline-3-carboxylic acid methyl ester

Suppliers and Price of Methyl 1-(2-chlorophenyl)isoquinoline-3-carboxylate

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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price

Total 1 raw suppliers

Chemical Property of Methyl 1-(2-chlorophenyl)isoquinoline-3-carboxylate

Chemical Property:

XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:297.0556563
Heavy Atom Count:21
Complexity:376

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl

Technology Process of Methyl 1-(2-chlorophenyl)isoquinoline-3-carboxylate

There total 5 articles about Methyl 1-(2-chlorophenyl)isoquinoline-3-carboxylate 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: 90.0%

: 3900-89-8
2-Chlorobenzeneboronic acid

: 439614-62-7
1-bromoisoquinoline-3-carboxylic acid methyl ester

: 95-57-8
2-monochlorophenol

: 439614-63-8
1-(2-chlorophenyl)isoquinoline-3-carboxylic acid methyl ester

Guidance literature:: With K₂PO₄; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 80 ℃; for 5h;
DOI:10.1039/b110301f

Reference yield: 90.0%

: 3900-89-8
2-Chlorobenzeneboronic acid

: 439614-62-7
1-bromoisoquinoline-3-carboxylic acid methyl ester

: 439614-63-8
1-(2-chlorophenyl)isoquinoline-3-carboxylic acid methyl ester

Guidance literature:: With potassium phosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 80 ℃; for 28h; Inert atmosphere;
DOI:10.1002/jhet.5570450520

Reference yield:

: 69454-42-8
1-hydroxyisoquinoline-3-carboxylic acid methyl ester

: 439614-63-8
1-(2-chlorophenyl)isoquinoline-3-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 82 percent / POBr₃; K₂CO₃ / acetonitrile / 1.5 h / Heating

2: 90 percent / K₂PO₄ / Pd(PPh₃)4 / dimethylformamide / 5 h / 80 °C

With potassium carbonate; phosphorus(V) oxybromide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; acetonitrile; 2: Suzuki coupling reaction;
DOI:10.1039/b110301f