5-Acetamidoisoquinoline

Base Information

Chemical Name:5-Acetamidoisoquinoline
CAS No.:27461-33-2
Molecular Formula:C11H10N2O
Molecular Weight:186.213
Hs Code.:2933499090
DSSTox Substance ID:DTXSID70395879
Nikkaji Number:J1.828.751J
Wikidata:Q72434064
Mol file:27461-33-2.mol

Synonyms:5-ACETAMIDOISOQUINOLINE;27461-33-2;N-(Isoquinolin-5-yl)acetamide;N-isoquinolin-5-ylacetamide;N-(5-Isoquinolyl)acetamide;N-(isoquinol-5-yl)acetamide;SCHEMBL4023574;DTXSID70395879;FZICVXWYDXOFAW-UHFFFAOYSA-N;CBA46133;MFCD05981994;AKOS006227737;BS-23682;CS-0450423;A876930

Suppliers and Price of 5-Acetamidoisoquinoline

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-Acetamidoisoquinoline
500mg
$ 145.00

TRC
5-Acetamidoisoquinoline
250mg
$ 95.00

Crysdot
N-(Isoquinolin-5-yl)acetamide 95+%
5g
$ 339.00

Chemenu
N-(Isoquinolin-5-yl)acetamide 95%
5g
$ 320.00

Apolloscientific
5-Acetamidoisoquinoline 98%
5g
$ 445.00

Apolloscientific
5-Acetamidoisoquinoline 98%
1g
$ 150.00

American Custom Chemicals Corporation
5-ACETAMIDOISOQUINOLINE 95.00%
5MG
$ 498.11

Alichem
N-(Isoquinolin-5-yl)acetamide
5g
$ 400.00

AK Scientific
5-Acetamidoisoquinoline
1g
$ 211.00

Total 14 raw suppliers

Chemical Property of 5-Acetamidoisoquinoline

Chemical Property:

Melting Point:166℃
Boiling Point:448.7±18.0 °C(Predicted)
PKA:14.11±0.43(Predicted)
PSA：45.48000
Density:1.242±0.06 g/cm3(Predicted)
LogP:2.84270
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:186.079312947
Heavy Atom Count:14
Complexity:217

Purity/Quality:

97% ^*data from raw suppliers

5-Acetamidoisoquinoline ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)NC1=CC=CC2=C1C=CN=C2

Technology Process of 5-Acetamidoisoquinoline

There total 4 articles about 5-Acetamidoisoquinoline 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: 99.0%

: 1125-60-6
isoquinolin-5-ylamine

: 108-24-7
acetic anhydride

: 27461-33-2
N-(isoquinolin-5-yl)acetamide

Guidance literature:: With pyridine; at 20 ℃;
DOI:10.3998/ark.5550190.0011.b22

Reference yield: 89.7%

: 607-32-9
5-nitroisoquinoline

: 108-24-7
acetic anhydride

: 27461-33-2
N-(isoquinolin-5-yl)acetamide

Guidance literature:: 5-nitroisoquinoline; With hydrogen; palladium on activated charcoal; In ethanol;

acetic anhydride; In acetic acid; Further stages.;
DOI:10.3987/com-06-s(w)1

Reference yield:

: 607-32-9
5-nitroisoquinoline

: 27461-33-2
N-(isoquinolin-5-yl)acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: Raney nickel; ethanol / 80 °C / 95616 Torr / Hydrogenation

With ethanol; nickel;
DOI:10.1021/ja01256a012