2-amino-4-(3-nitrophenyl)-4H-benzo[h]chromene-3-carbonitrile

Base Information

Chemical Name:2-amino-4-(3-nitrophenyl)-4H-benzo[h]chromene-3-carbonitrile
CAS No.:149550-36-7
Molecular Formula:C20H13 N3 O3
Molecular Weight:343.342
Hs Code.:
DSSTox Substance ID:DTXSID40389407
Nikkaji Number:J679.819E
ChEMBL ID:CHEMBL321336
Mol file:149550-36-7.mol

Synonyms:2-amino-4-(3-pyridyl)-4H-naphtho-(1,2-b)pyran-3-carbonitrile;LY 290181;LY-290181;LY290181

Suppliers and Price of 2-amino-4-(3-nitrophenyl)-4H-benzo[h]chromene-3-carbonitrile

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

Total 2 raw suppliers

Chemical Property of 2-amino-4-(3-nitrophenyl)-4H-benzo[h]chromene-3-carbonitrile

Chemical Property:

Vapor Pressure:7.66E-14mmHg at 25°C
Melting Point:212-214 °C(Solv: methanol (67-56-1))
Boiling Point:588.8°C at 760 mmHg
PKA:2.77±0.40(Predicted)
Flash Point:309.9°C
PSA：104.86000
Density:1.43g/cm³
LogP:5.18968
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:343.09569129
Heavy Atom Count:26
Complexity:646

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=CC3=C2OC(=C(C3C4=CC(=CC=C4)[N+](=O)[O-])C#N)N

Technology Process of 2-amino-4-(3-nitrophenyl)-4H-benzo[h]chromene-3-carbonitrile

There total 4 articles about 2-amino-4-(3-nitrophenyl)-4H-benzo[h]chromene-3-carbonitrile 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%

: 90-15-3
α-naphthol

: 99-61-6
3-nitro-benzaldehyde

: 109-77-3
malononitrile

: 149550-36-7
amino-4-(3-nitrophenyl)-4H-naphtho[1,2-b]pyran-3-carbonitrile

Guidance literature:: With potassium phtalimide; at 20 ℃; for 0.25h; Milling;
DOI:10.1039/c4gc00411f

Reference yield: 95.0%

: 90-15-3
α-naphthol

: 619-25-0
3-Nitrobenzyl alcohol

: 109-77-3
malononitrile

: 149550-36-7
amino-4-(3-nitrophenyl)-4H-naphtho[1,2-b]pyran-3-carbonitrile

Guidance literature:: With ammonium cerium (IV) nitrate; 1,2-dimethyl-3-[4-(1,2-dimethyl-1H-imidazol-3-ium-3-yl)butyl]-1H-imidazol-3-ium dibromide; In neat (no solvent); at 20 ℃; for 1h; Milling; Green chemistry;
DOI:10.4067/S0717-97072017000100019

Reference yield:

: 99-61-6
3-nitro-benzaldehyde

: 149550-36-7
amino-4-(3-nitrophenyl)-4H-naphtho[1,2-b]pyran-3-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 91.5 percent / piperidine / ethanol / 0.5 h / Heating

2: piperidine / ethanol / 0.08 h / Heating

With piperidine; In ethanol;