6,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one

Base Information

Chemical Name:6,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one
CAS No.:115706-19-9
Molecular Formula:C₉H₇Cl₂NO
Molecular Weight:216.067
Hs Code.:
DSSTox Substance ID:DTXSID201253612

Synonyms:115706-19-9;6,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one;6,7-Dichloro-3,4-dihydroisoquinolin-1(2H)-one;SCHEMBL793729;FOJPMUIDVJQSSA-UHFFFAOYSA-N;DTXSID201253612;MFCD20923415;SY317979;6,7-Dichloro-3,4-dihydro-1(2H)-isoquinolinone

Suppliers and Price of 6,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-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
6,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one
10mg
$ 110.00

TRC
6,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one
1mg
$ 45.00

Total 0 raw suppliers

Chemical Property of 6,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one

Chemical Property:

Melting Point:183-184 °C(Solv: ethyl ether (60-29-7))
Boiling Point:470.9±45.0 °C(Predicted)
Density:1.414±0.06 g/cm3(Predicted)
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:214.9904692
Heavy Atom Count:13
Complexity:222

Purity/Quality:: 6,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CNC(=O)C2=CC(=C(C=C21)Cl)Cl

Technology Process of 6,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-one

There total 11 articles about 6,7-Dichloro-3,4-dihydro-2H-isoquinolin-1-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: 28.0%

: 115706-18-8
1,2-dichloro-4-(2-isocyanatoethyl)benzene

: 115706-19-9
6,7-dichloro-1,2,3,4-tetrahydro-1-oxoisoquinoline

Guidance literature:: With aluminium trichloride; In 1,1,2,2-tetrachloroethylene; at 60 - 65 ℃; for 0.5h;
DOI:10.1021/jm00119a008

Reference yield:

: 1099001-52-1
[2-(3,4-dichloro-phenyl)-ethyl]-carbamic acid ethyl ester

: 115706-19-9
6,7-dichloro-1,2,3,4-tetrahydro-1-oxoisoquinoline

Guidance literature:: With phosphorus pentoxide; trichlorophosphate; at 120 ℃; for 1h;

Reference yield:

: 25173-68-6
3(3,4-dichlorophenyl)propanoic acid

: 115706-19-9
6,7-dichloro-1,2,3,4-tetrahydro-1-oxoisoquinoline

Guidance literature:: Multi-step reaction with 3 steps

1: thionyl chloride / toluene / 3 h / 55 - 60 °C

2: 1.) aq. sodium azide / 1.) acetone, 0 deg C, 0.5 h, 2.) toluene, 80 deg C, 0.5 h

3: 28 percent / aluminum chloride / tetrachloroethene / 0.5 h / 60 - 65 °C

With aluminium trichloride; thionyl chloride; sodium azide; In 1,1,2,2-tetrachloroethylene; toluene;
DOI:10.1021/jm00119a008