1-(Isoquinolin-3-yl)ethanone

Base Information

Chemical Name:1-(Isoquinolin-3-yl)ethanone
CAS No.:91544-03-5
Molecular Formula:C11H9 N O
Molecular Weight:171.2
Hs Code.:2933499090
European Community (EC) Number:874-630-7
Nikkaji Number:J1.477.465C
Mol file:91544-03-5.mol

Synonyms:3-acetylisoquinoline

Suppliers and Price of 1-(Isoquinolin-3-yl)ethanone

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
1-(isoquinolin-3-yl)ethanone
50mg
$ 90.00

Matrix Scientific
1-(Isoquinolin-3-yl)ethanone 95%
1g
$ 666.00

Matrix Scientific
1-(Isoquinolin-3-yl)ethanone 95%
5g
$ 2202.00

Labseeker
1-ISOQUINOLIN-3-YL-ETHANONE 95
1g
$ 708.00

J&W Pharmlab
1-Isoquinolin-3-yl-ethanone 96%
500mg
$ 199.00

Crysdot
1-(Isoquinolin-3-yl)ethanone 95+%
1g
$ 314.00

Chemenu
1-(isoquinolin-3-yl)ethanone 95%
1g
$ 297.00

Biosynth Carbosynth
3-Acetylisoquinoline
500 mg
$ 225.00

Biosynth Carbosynth
3-Acetylisoquinoline
250 mg
$ 140.00

Biosynth Carbosynth
3-Acetylisoquinoline
100 mg
$ 108.00

Total 24 raw suppliers

Chemical Property of 1-(Isoquinolin-3-yl)ethanone

Chemical Property:

Melting Point:88 °C
Boiling Point:88.5-89.0 °C
PKA:2.62±0.30(Predicted)
PSA：29.96000
Density:1.154±0.06 g/cm3(Predicted)
LogP:2.43740
Storage Temp.:Inert atmosphere,Room Temperature
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:171.068413911
Heavy Atom Count:13
Complexity:202

Purity/Quality:

99%, ^*data from raw suppliers

1-(isoquinolin-3-yl)ethanone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1=CC2=CC=CC=C2C=N1

Technology Process of 1-(Isoquinolin-3-yl)ethanone

There total 21 articles about 1-(Isoquinolin-3-yl)ethanone 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: 96.0%

: 75-16-1
methylmagnesium bromide

: 362057-20-3
N-methyl-N-methoxyisoquinoline-3-carboxyamide

: 91544-03-5
3-acetylisoquinoline

Guidance literature:: In tetrahydrofuran; diethyl ether; at -40 ℃;
DOI:10.1016/S0957-4166(01)00178-1

Reference yield: 75.0%

: 111-34-2,92680-80-3
-butyl vinyl ether

: 185950-63-4
3-((trifluoromethylsulfonyl)oxy)isoquinoline

: 91544-03-5
3-acetylisoquinoline

Guidance literature:: -butyl vinyl ether; 3-((trifluoromethylsulfonyl)oxy)isoquinoline; With palladium diacetate; 1,3-bis-(diphenylphosphino)propane; triethylamine; In N,N-dimethyl-formamide; at 80 ℃; for 48h;

With hydrogenchloride; In N,N-dimethyl-formamide; at 20 ℃; for 24h;
DOI:10.1016/S0040-4020(01)00076-X