1-[4-(Methylamino)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

Base Information

Chemical Name:1-[4-(Methylamino)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CAS No.:93579-43-2
Molecular Formula:C12H12N2O2
Molecular Weight:216.239
Hs Code.:
DSSTox Substance ID:DTXSID60555369

Synonyms:93579-43-2;1-[4-(Methylamino)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;SCHEMBL10532385;DTXSID60555369

Suppliers and Price of 1-[4-(Methylamino)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-[4-(Methylamino)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

Chemical Property:

XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:216.089877630
Heavy Atom Count:16
Complexity:347

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CNC1=CC=C(C=C1)C23CC2C(=O)NC3=O

Technology Process of 1-[4-(Methylamino)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

There total 3 articles about 1-[4-(Methylamino)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-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: 5.0%

: 86215-68-1
1-(4-aminophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

: 77-78-1
dimethyl sulfate

: 93579-43-2
1-<4-(methylamino)phenyl>-3-azabicyclo<3.1.0>hexane-2,4-dione

: 113111-31-2
1-<4-(dimethylamino)phenyl>-3-azabicyclo<3.1.0>hexane-2,4-dione

Guidance literature:: With triethylamine; In tetrahydrofuran; for 4h; Heating;
DOI:10.1021/jm00400a014

Reference yield:

: 66503-91-1
1-phenyl-3-azabicyclo<3.1.0>hexane-2,4-dione

: 93579-43-2
1-<4-(methylamino)phenyl>-3-azabicyclo<3.1.0>hexane-2,4-dione

Guidance literature:: Multi-step reaction with 3 steps

1: HNO₃, H₂SO₄ / 16 h / 0 °C

2: 85.2 percent / H₂ / Pd/C / ethanol

3: 48 percent / Et₃N / tetrahydrofuran / 4 h / Heating

With sulfuric acid; hydrogen; nitric acid; triethylamine; palladium on activated charcoal; In tetrahydrofuran; ethanol;
DOI:10.1021/jm00400a014

Reference yield:

: 66504-69-6
1-(4-nitrophenyl)-3-azabicyclo<3.1.0>hexane-2,4-dione

: 93579-43-2
1-<4-(methylamino)phenyl>-3-azabicyclo<3.1.0>hexane-2,4-dione

Guidance literature:: Multi-step reaction with 2 steps

1: 85.2 percent / H₂ / Pd/C / ethanol

2: 48 percent / Et₃N / tetrahydrofuran / 4 h / Heating

With hydrogen; triethylamine; palladium on activated charcoal; In tetrahydrofuran; ethanol;
DOI:10.1021/jm00400a014