3-(Fluoromethyl)-3,4-dihydro-7-nitroisoquinolin-1(2H)-one

Base Information

Chemical Name:3-(Fluoromethyl)-3,4-dihydro-7-nitroisoquinolin-1(2H)-one
CAS No.:247050-34-6
Molecular Formula:C₁₀H₉FN₂O₃
Molecular Weight:224.191
Hs Code.:
DSSTox Substance ID:DTXSID40442783
Mol file:247050-34-6.mol

Synonyms:247050-34-6;3-(FLUOROMETHYL)-3,4-DIHYDRO-7-NITROISOQUINOLIN-1(2H)-ONE;DTXSID40442783;AB52937

Suppliers and Price of 3-(Fluoromethyl)-3,4-dihydro-7-nitroisoquinolin-1(2H)-one

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

American Custom Chemicals Corporation
3-(FLUOROMETHYL)-3,4-DIHYDRO-7-NITROISOQUINOLIN-1-(2H)-ONE 95.00%
5MG
$ 500.10

Total 2 raw suppliers

Chemical Property of 3-(Fluoromethyl)-3,4-dihydro-7-nitroisoquinolin-1(2H)-one

Chemical Property:

PSA：78.41000
LogP:1.75240
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:224.05972032
Heavy Atom Count:16
Complexity:305

Purity/Quality:

98%min ^*data from raw suppliers

3-(FLUOROMETHYL)-3,4-DIHYDRO-7-NITROISOQUINOLIN-1-(2H)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C(NC(=O)C2=C1C=CC(=C2)[N+](=O)[O-])CF

Technology Process of 3-(Fluoromethyl)-3,4-dihydro-7-nitroisoquinolin-1(2H)-one

There total 3 articles about 3-(Fluoromethyl)-3,4-dihydro-7-nitroisoquinolin-1(2H)-one 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: 89.0%

: 247050-21-1
(+/-)-3-fluoromethyl-3,4-dihydroisoquinolin-1(2H)-one

: 247050-34-6
(+/-)-3-fluoromethyl-7-nitro-3,4-dihydroisoquinolin-1(2H)-one

Guidance literature:: With sulfuric acid; potassium nitrate; at 20 ℃;
DOI:10.1021/jm990045e

Reference yield:

: (+/-)-1-fluoro-3-phenyl-2-aminopropanoate hemisulfate

: 247050-34-6
(+/-)-3-fluoromethyl-7-nitro-3,4-dihydroisoquinolin-1(2H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: 95 percent / pyridine / CHCl₃

2: 55 percent / polyphosphoric acid / 2 h / 130 °C

3: 89 percent / KNO₃; H₂SO₄ / 20 °C

With pyridine; PPA; sulfuric acid; potassium nitrate; In chloroform; 1: Acylation / 2: Cyclization / 3: Nitration;
DOI:10.1021/jm990045e

Reference yield:

: 245107-67-9
(+/-)-methyl N-(1-fluoro-3-phenylprop-2-yl)carbamate

: 247050-34-6
(+/-)-3-fluoromethyl-7-nitro-3,4-dihydroisoquinolin-1(2H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: 55 percent / polyphosphoric acid / 2 h / 130 °C

2: 89 percent / KNO₃; H₂SO₄ / 20 °C

With PPA; sulfuric acid; potassium nitrate; 1: Cyclization / 2: Nitration;
DOI:10.1021/jm990045e