5-Fluoro-3,4-dihydroisoquinolin-1(2H)-one

Base Information

Chemical Name:5-Fluoro-3,4-dihydroisoquinolin-1(2H)-one
CAS No.:230301-83-4
Molecular Formula:C9H8FNO
Molecular Weight:165.167
Hs Code.:2933491090
DSSTox Substance ID:DTXSID80593268
Wikidata:Q82487710
Mol file:230301-83-4.mol

Synonyms:230301-83-4;5-Fluoro-3,4-dihydroisoquinolin-1(2H)-one;5-FLUORO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE;5-FLOUORO-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE;1(2H)-ISOQUINOLINONE, 5-FLUORO-3,4-DIHYDRO-;SCHEMBL6421827;DTXSID80593268;ZZGXLZYBHQFPQV-UHFFFAOYSA-N;MFCD04114877;AKOS006293435;AB19155;DS-16994;5-Fluoro-3.4-dihydro-2H-isoquinolin-1-one;AM20030398;CS-0043834;1(2H)-Isoquinolinone,5-fluoro-3,4-dihydro-;5-Flouoro-3,4-dihydro-2H-isoquinolin-1-one;5-fluoro-1,2,3,4-tetrahydroisoquinolin-1-one;C74186;EN300-199227;5-Fluoro-3 pound not4-dihydroisoquinolin-1(2H)-one

Suppliers and Price of 5-Fluoro-3,4-dihydroisoquinolin-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

TRC
5-Fluoro-3,4-dihydroisoquinolin-1(2H)-one
500mg
$ 220.00

SynQuest Laboratories
5-Fluoro-1,2,3,4-tetrahydroisoquinolin-1-one 98%
1 g
$ 440.00

SynQuest Laboratories
5-Fluoro-1,2,3,4-tetrahydroisoquinolin-1-one 98%
250 mg
$ 292.00

Labseeker
5-FLUORO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE 95
1g
$ 750.00

J&W Pharmlab
5-Fluoro-3,4-dihydro-2H-isoquinolin-1-one 96%
250mg
$ 124.00

J&W Pharmlab
5-Fluoro-3,4-dihydro-2H-isoquinolin-1-one 96%
500mg
$ 146.00

J&W Pharmlab
5-Fluoro-3,4-dihydro-2H-isoquinolin-1-one 96%
1g
$ 190.00

Crysdot
5-Fluoro-3,4-dihydroisoquinolin-1(2H)-one 98%
25g
$ 1832.00

Crysdot
5-Fluoro-3,4-dihydroisoquinolin-1(2H)-one 98%
5g
$ 574.00

Crysdot
5-Fluoro-3,4-dihydroisoquinolin-1(2H)-one 98%
10g
$ 921.00

Total 24 raw suppliers

Chemical Property of 5-Fluoro-3,4-dihydroisoquinolin-1(2H)-one

Chemical Property:

Boiling Point:398.8 °C at 760 mmHg
PKA:13.97±0.20(Predicted)
Flash Point:195 °C
PSA：29.10000
Density:1.241 g/cm³
LogP:1.44040
Storage Temp.:2-8°C
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:165.058992041
Heavy Atom Count:12
Complexity:195

Purity/Quality:

97% ^*data from raw suppliers

5-Fluoro-3,4-dihydroisoquinolin-1(2H)-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNC(=O)C2=C1C(=CC=C2)F

Technology Process of 5-Fluoro-3,4-dihydroisoquinolin-1(2H)-one

There total 10 articles about 5-Fluoro-3,4-dihydroisoquinolin-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: 85.0%

: 406923-58-8
2-2-fluorophenylethylcarbamic acid methyl ester

: 230301-83-4
5-fluoro-3,4-dihydro-2H-isoquinolin-1-one

Guidance literature:: With trifluorormethanesulfonic acid; at 0 - 70 ℃; for 39h;
DOI:10.1021/jo3020566

Reference yield: 74.0%

: 230301-82-3
methyl 2-(cyanomethyl)-3-fluorobenzoate

: 230301-83-4
5-fluoro-3,4-dihydro-2H-isoquinolin-1-one

Guidance literature:: aluminum nickel; In ethanol;

Reference yield:

: 52721-69-4
[2-(2-fluorophenyl)ethyl]amine

: 230301-83-4
5-fluoro-3,4-dihydro-2H-isoquinolin-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 1 h / 0 - 25 °C

2: trifluorormethanesulfonic acid / 16 h / 70 °C

With trifluorormethanesulfonic acid; triethylamine; In dichloromethane;
DOI:10.1021/acs.orglett.9b00191