Methyl 1-chloro-4-phenylisoquinoline-3-carboxylate

Base Information

Chemical Name:Methyl 1-chloro-4-phenylisoquinoline-3-carboxylate
CAS No.:78945-98-9
Molecular Formula:C17H12ClNO2
Molecular Weight:297.741
Hs Code.:
DSSTox Substance ID:DTXSID40506955
Wikidata:Q82362940

Synonyms:Methyl 1-chloro-4-phenylisoquinoline-3-carboxylate;78945-98-9;DTXSID40506955

Suppliers and Price of Methyl 1-chloro-4-phenylisoquinoline-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
Packaging
price

Total 4 raw suppliers

Chemical Property of Methyl 1-chloro-4-phenylisoquinoline-3-carboxylate

Chemical Property:

XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:297.0556563
Heavy Atom Count:21
Complexity:370

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)C3=CC=CC=C3

Technology Process of Methyl 1-chloro-4-phenylisoquinoline-3-carboxylate

There total 3 articles about Methyl 1-chloro-4-phenylisoquinoline-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: 92.0%

: 69454-47-3
3-carbossimetil-4-fenil-1,2-diidro-1-ossiisochinolina

: 78945-98-9
1-chloro-3-carboxymethyl-4-phenylisoquinoline

Guidance literature:: With phosphorus pentachloride; trichlorophosphate; at 140 ℃; for 3h;

Reference yield:

: 37617-98-4
4-phenyl-3-isocoumarincarboxylic acid

: 78945-98-9
1-chloro-3-carboxymethyl-4-phenylisoquinoline

Guidance literature:: Multi-step reaction with 3 steps

1: 94 percent / 25percent NH₃ / ethanol / 48 h / Ambient temperature

2: 81 percent / 10percent H₂SO₄ / 10 h / Heating

3: 92 percent / POCl₃, PCl₅ / 3 h / 140 °C

With ammonium hydroxide; phosphorus pentachloride; sulfuric acid; trichlorophosphate; In ethanol;

Reference yield:

: 78945-99-0
1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic acid

: 78945-98-9
1-chloro-3-carboxymethyl-4-phenylisoquinoline

Guidance literature:: Multi-step reaction with 2 steps

1: 81 percent / 10percent H₂SO₄ / 10 h / Heating

2: 92 percent / POCl₃, PCl₅ / 3 h / 140 °C

With phosphorus pentachloride; sulfuric acid; trichlorophosphate;