2-Amino-4-(4-methoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile

Base Information

Chemical Name:2-Amino-4-(4-methoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile
CAS No.:115091-77-5
Molecular Formula:C20H16 N2 O2 S
Molecular Weight:348.425
Hs Code.:
DSSTox Substance ID:DTXSID40921624
Nikkaji Number:J387.126F

Synonyms:BRN 4271975;2-Amino-4-(4-methoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile;4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-;115091-77-5;2-Amino-4-(4-methoxyphenyl)-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile;2-Amino-4-[4-methoxyphenyl]-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile;4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-;DTXSID40921624;2-amino-4-(4-methoxyphenyl)-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile;LS-41430

Suppliers and Price of 2-Amino-4-(4-methoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile

Supply Marketing:

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

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Chemical Property of 2-Amino-4-(4-methoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile

Chemical Property:

Vapor Pressure:1.51E-16mmHg at 25°C
Boiling Point:645.4°C at 760 mmHg
Flash Point:344.1°C
Density:1.37g/cm³
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:348.09324893
Heavy Atom Count:25
Complexity:639

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4SC3)OC(=C2C#N)N

Technology Process of 2-Amino-4-(4-methoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile

There total 5 articles about 2-Amino-4-(4-methoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-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: 75.0%

: 74074-07-0,135521-82-3,101017-54-3
(Z)-3-(4-methoxy-benzylidene)-thiochroman-4-one

: 109-77-3
malononitrile

: 115091-77-5
2-amino-4-(4-methoxyphenyl)-4H,5H-<1>benzothiopyrano<4,3-b>pyran-3-carbonitrile

Guidance literature:: With magnesia; In ethanol; for 15h; Reflux;
DOI:10.1080/17415993.2016.1149856

Reference yield: 70.0%

: 74074-07-0
3-(4-methoxy-benzylidene)-thiochroman-4-one

: 109-77-3
malononitrile

: 115091-77-5
2-amino-4-(4-methoxyphenyl)-4H,5H-<1>benzothiopyrano<4,3-b>pyran-3-carbonitrile

Guidance literature:: With zinc aluminate; In neat (no solvent); at 100 ℃; for 1.3h; Milling; Green chemistry;
DOI:10.2174/1386207322666190617164617

Reference yield:

: 123-11-5
4-methoxy-benzaldehyde

: 115091-77-5
2-amino-4-(4-methoxyphenyl)-4H,5H-<1>benzothiopyrano<4,3-b>pyran-3-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 91 percent / H₂SO₄ / acetic acid / 0.33 h / 20 °C

2: 68 percent / piperidine / ethanol / 1 h / 20 °C

With piperidine; sulfuric acid; In ethanol; acetic acid;