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

Base Information

Chemical Name:2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile
CAS No.:115091-78-6
Molecular Formula:C21H18 N2 O3 S
Molecular Weight:378.4442
Hs Code.:
DSSTox Substance ID:DTXSID00921625
Nikkaji Number:J387.128B
Mol file:115091-78-6.mol

Synonyms:BRN 4275433;2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile;4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(3,4-dimethoxyphenyl)-;115091-78-6;2-Amino-4-(3,4-dimethoxyphenyl)-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile;2-Amino-4-[3,4-dimethoxyphenyl]-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile;4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile, 2-amino-4-(3,4-dimethoxyphenyl)-;DTXSID00921625;2-amino-4-(3,4-dimethoxyphenyl)-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile;LS-41427

Suppliers and Price of 2-Amino-4-(3,4-dimethoxyphenyl)-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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Total 1 raw suppliers

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

Chemical Property:

Vapor Pressure:6.94E-17mmHg at 25°C
Boiling Point:652.1°C at 760 mmHg
Flash Point:348.2°C
Density:1.37g/cm³
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:378.10381361
Heavy Atom Count:27
Complexity:695

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

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

There total 3 articles about 2-Amino-4-(3,4-dimethoxyphenyl)-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: 31.2%

: 130688-99-2
3-[1-(3,4-Dimethoxy-phenyl)-meth-(Z)-ylidene]-thiochroman-4-one

: 109-77-3
malononitrile

: 115091-78-6
3-Amino-1-(3,4-dimethoxy-phenyl)-1H,10H-4-oxa-9-thia-phenanthrene-2-carbonitrile

Guidance literature:: With piperidine; In ethanol; Ambient temperature;
DOI:10.1016/0223-5234(91)90033-J

Reference yield:

: 3528-17-4
2,3-dihydro-4H-[1]benzothiopyran-4-one

: 115091-78-6
3-Amino-1-(3,4-dimethoxy-phenyl)-1H,10H-4-oxa-9-thia-phenanthrene-2-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 50.7 percent / HCl / ethanol

2: 4.5 percent / piperidine / ethanol / Ambient temperature

With piperidine; hydrogenchloride; In ethanol;

Reference yield:

: 120-14-9
3,4-dimethoxy-benzaldehyde

: 115091-78-6
3-Amino-1-(3,4-dimethoxy-phenyl)-1H,10H-4-oxa-9-thia-phenanthrene-2-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 50.7 percent / HCl / ethanol

2: 4.5 percent / piperidine / ethanol / Ambient temperature

With piperidine; hydrogenchloride; In ethanol;