2-[2-(4-Nitrophenyl)-2-oxoethyl]isoquinolin-2-ium bromide

Base Information

Chemical Name:2-[2-(4-Nitrophenyl)-2-oxoethyl]isoquinolin-2-ium bromide
CAS No.:39954-59-1
Molecular Formula:C17H13 N2 O3 . Br
Molecular Weight:373.206
Hs Code.:
DSSTox Substance ID:DTXSID00517385
NSC Number:157436
Mol file:39954-59-1.mol

Synonyms:39954-59-1;DTXSID00517385;2-[2-(4-Nitrophenyl)-2-oxoethyl]isoquinolin-2-ium bromide;NSC157436;AKOS024422516;NSC-157436

Suppliers and Price of 2-[2-(4-Nitrophenyl)-2-oxoethyl]isoquinolin-2-ium bromide

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 2-[2-(4-Nitrophenyl)-2-oxoethyl]isoquinolin-2-ium bromide

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:g/cm³
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:372.01095
Heavy Atom Count:23
Complexity:413

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Technology Process of 2-[2-(4-Nitrophenyl)-2-oxoethyl]isoquinolin-2-ium bromide

There total 1 articles about 2-[2-(4-Nitrophenyl)-2-oxoethyl]isoquinolin-2-ium bromide 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:

: 119-65-3
isoquinoline

: 99-81-0
4-Nitrophenacyl bromide

: 39954-59-1
2-(2-(4-nitrophenyl)-2-oxoethyl)isoquinolin-2-ium bromide

Guidance literature:: In acetone; at 20 ℃;

Reference yield: 90.0%

: 20852-10-2
dimethyl 8-oxo-8H-cyclopenta[a]acenaphthylene-7,9-dicarboxylate

: 39954-59-1
2-(2-(4-nitrophenyl)-2-oxoethyl)isoquinolin-2-ium bromide

: dimethyl 4-(4-nitrobenzoyl)-5-oxo-4H,12cH-naphtho[1'',8'':4',5',6']pentaleno[1':3,4]pyrrolo[2,1-a]isoquinoline-4a,6(5H)-dicarboxylate

Guidance literature:: With triethylamine; In acetonitrile; at 80 ℃; for 2h; regioselective reaction;
DOI:10.1055/s-0040-1706750

Reference yield: 87.0%

: 2999-46-4
Ethyl isocyanoacetate

: 39954-59-1
2-(2-(4-nitrophenyl)-2-oxoethyl)isoquinolin-2-ium bromide

: ethyl 2-(4-nitrophenyl)pyrrolo[2,1-a]isoquinoline-1-carboxylate

Guidance literature:: With triethylamine; silver carbonate; In 1,4-dioxane; at 25 ℃; for 10h; regioselective reaction; Schlenk technique; Inert atmosphere;
DOI:10.1021/acs.orglett.1c02754