7-amino-4,4-dimethylisoquinoline-1,3(2H,4H)-dione

Base Information

Chemical Name:7-amino-4,4-dimethylisoquinoline-1,3(2H,4H)-dione
CAS No.:14576-22-8
Molecular Formula:C11H12N2O2
Molecular Weight:204.22500
Hs Code.:
DSSTox Substance ID:DTXSID80543829
Wikidata:Q82420792
Mol file:14576-22-8.mol

Synonyms:14576-22-8;7-amino-4,4-dimethylisoquinoline-1,3(2H,4H)-dione;1,3(2H,4H)-Isoquinolinedione, 7-amino-4,4-dimethyl-;7-amino-4,4-dimethylisoquinoline-1,3-dione;MFCD24550916;SCHEMBL2102219;DTXSID80543829;SFEHKRXHTPYTHM-UHFFFAOYSA-N;SY268287;7-Amino-4,4-dimethyl-isoquinolin-1,3-dione;E70197;7-amino-4,4-dimethylisoquinoline-1,3 (2H,4H)-dione

Suppliers and Price of 7-amino-4,4-dimethylisoquinoline-1,3(2H,4H)-dione

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

AK Scientific
7-Amino-4,4-dimethylisoquinoline-1,3(2H,4H)-dione
250mg
$ 937.00

Total 3 raw suppliers

Chemical Property of 7-amino-4,4-dimethylisoquinoline-1,3(2H,4H)-dione

Chemical Property:

Melting Point:176-179 °C(Solv: methanol (67-56-1))
Boiling Point:444.1±45.0 °C(Predicted)
PSA：75.68000
Density:1.230±0.06 g/cm3(Predicted)
LogP:1.40800
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:204.089877630
Heavy Atom Count:15
Complexity:312

Purity/Quality:

99% ^*data from raw suppliers

7-Amino-4,4-dimethylisoquinoline-1,3(2H,4H)-dione ^*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)C(=O)NC1=O)C

Technology Process of 7-amino-4,4-dimethylisoquinoline-1,3(2H,4H)-dione

There total 4 articles about 7-amino-4,4-dimethylisoquinoline-1,3(2H,4H)-dione 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: 98.0%

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

: 14576-22-8
7-amino-4,4-dimethyl-2H,4H-isoquinoline-1,3-dione

Guidance literature:: With hydrogen; 10percent Pd/C; In methanol; for 1.5h; under 2585.81 Torr;
DOI:10.1021/jm020113o

Reference yield:

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

: 14576-22-8
7-amino-4,4-dimethyl-2H,4H-isoquinoline-1,3-dione

Guidance literature:: Multi-step reaction with 2 steps

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

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

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

Reference yield:

: 99911-10-1
2-(2-cyanopropan-2-yl)benzonitrile

: 14576-22-8
7-amino-4,4-dimethyl-2H,4H-isoquinoline-1,3-dione

Guidance literature:: Multi-step reaction with 3 steps

1.1: 90percent aq. H₂SO₄ / 20 - 60 °C

1.2: aq. NH₃ / tetrahydrofuran / 65 °C

2.1: 93 percent / H₂SO₄; HNO₃ / 0 - 5 °C

3.1: 98 percent / H₂ / 10percent Pd/C / methanol / 1.5 h / 2585.81 Torr

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