1,3(2H,4H)-Isoquinolinedione, 7-amino-4,4-dimethyl-8-nitro-

Base Information

Chemical Name:1,3(2H,4H)-Isoquinolinedione, 7-amino-4,4-dimethyl-8-nitro-
CAS No.:99911-28-1
Molecular Formula:C11H11N3O4
Molecular Weight:249.22300
Hs Code.:
DSSTox Substance ID:DTXSID10455885
Wikidata:Q82278040

Synonyms:1,3(2H,4H)-Isoquinolinedione, 7-amino-4,4-dimethyl-8-nitro-;99911-28-1;7-amino-4,4-dimethyl-8-nitroisoquinoline-1,3-dione;SCHEMBL4692617;DTXSID10455885;IIFNPGLZPCSZAF-UHFFFAOYSA-N;4,4-dimethyl-7-amino-8-nitro-2H,4H-isoquinoline-1,3-dione;7-Amino-4,4-dimethyl-8-nitro-1,3(2H,4H)-isoquinolinedione;7-amino-4,4-dimethyl-8-nitro-2H,4H-isoquinoline- 1,3-dione;7-amino-4,4-dimethyl-8-nitro-2H,4H-isoquinoline-1,3-dione;7-amino-4,4-dimethyl-8-nitroisoquinoline-1,3(2H,4H)-dione

Suppliers and Price of 1,3(2H,4H)-Isoquinolinedione, 7-amino-4,4-dimethyl-8-nitro-

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

AccelPharmtech
7-amino-4,4-dimethyl-8-nitroisoquinoline-1,3(2H,4H)-dione 97.00%
25G
$ 23100.00

AccelPharmtech
7-amino-4,4-dimethyl-8-nitroisoquinoline-1,3(2H,4H)-dione 97.00%
5G
$ 12200.00

AccelPharmtech
7-amino-4,4-dimethyl-8-nitroisoquinoline-1,3(2H,4H)-dione 97.00%
1G
$ 8750.00

Total 4 raw suppliers

Chemical Property of 1,3(2H,4H)-Isoquinolinedione, 7-amino-4,4-dimethyl-8-nitro-

Chemical Property:

Melting Point:259-263 °C
Boiling Point:526.2±50.0 °C(Predicted)
PSA：121.50000
Density:1.401±0.06 g/cm3(Predicted)
LogP:1.83940
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:249.07495584
Heavy Atom Count:18
Complexity:415

Purity/Quality:

99% ^*data from raw suppliers

7-amino-4,4-dimethyl-8-nitroisoquinoline-1,3(2H,4H)-dione 97.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C2=C(C(=C(C=C2)N)[N+](=O)[O-])C(=O)NC1=O)C

Technology Process of 1,3(2H,4H)-Isoquinolinedione, 7-amino-4,4-dimethyl-8-nitro-

There total 6 articles about 1,3(2H,4H)-Isoquinolinedione, 7-amino-4,4-dimethyl-8-nitro- 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%

: 69883-74-5
7-acetamido-4,4-dimethyl-8-nitro-2H,4H-isoquinoline-1,3-dione

: 99911-28-1
7-amino-4,4-dimethyl-8-nitro-2H,4H-isoquinoline-1,3-dione

Guidance literature:: With 90percent aq. H₂SO₄; at 70 ℃; for 8h;
DOI:10.1021/jm020113o

Reference yield:

: 5488-36-8
4,4-dimethyl-4H-isoquinoline-1,3-dione

: 99911-28-1
7-amino-4,4-dimethyl-8-nitro-2H,4H-isoquinoline-1,3-dione

Guidance literature:: Multi-step reaction with 5 steps

1: 93 percent / H₂SO₄; HNO₃ / 0 - 5 °C

2: 98 percent / H₂ / 10percent Pd/C / methanol / 1.5 h / 2585.81 Torr

3: 86 percent / 3 h / 20 °C

4: 90percent aq. HNO₃ / -20 °C

5: 99 percent / 90percent aq. H₂SO₄ / 8 h / 70 °C

With sulfuric acid; hydrogen; nitric acid; 10percent Pd/C; In methanol;
DOI:10.1021/jm020113o

Reference yield:

: 14576-21-7
4,4-dimethyl-7-nitro-2H-3,4-dihydro-isoquinolin-1,3-dione

: 99911-28-1
7-amino-4,4-dimethyl-8-nitro-2H,4H-isoquinoline-1,3-dione

Guidance literature:: Multi-step reaction with 4 steps

1: 98 percent / H₂ / 10percent Pd/C / methanol / 1.5 h / 2585.81 Torr

2: 86 percent / 3 h / 20 °C

3: 90percent aq. HNO₃ / -20 °C

4: 99 percent / 90percent aq. H₂SO₄ / 8 h / 70 °C

With hydrogen; 10percent Pd/C; In methanol;
DOI:10.1021/jm020113o