4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide

Base Information

Chemical Name:4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide
CAS No.:135521-76-5
Molecular Formula:C20H16 N2 O4 S
Molecular Weight:380.417
Hs Code.:
DSSTox Substance ID:DTXSID90929039
Mol file:135521-76-5.mol

Synonyms:BRN 4274480;135521-76-5;1-Amino-4-(4-methoxyphenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile-6-sulfone;4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide;C20H16N2O4S;DTXSID90929039;C20-H16-N2-O4-S;10-(4-Hydroxyphenyl)-7,8-dihydro-1H-2lambda~6~-thiopyrano[3',4':5,6]pyrano[3,4-c]cinnoline-2,2(4aH)-dione

Suppliers and Price of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide

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
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Total 1 raw suppliers

Chemical Property of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:380.08307817
Heavy Atom Count:27
Complexity:802

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=C3C4=C(C=C(C=C4)C5=CC=C(C=C5)O)NNC3=COC2C=CS1(=O)=O

Technology Process of 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide

There total 4 articles about 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-4-(4-methoxyphenyl)-, 6,6-dioxide 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: 39.3%

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

: 135521-76-5
1-amino-4-(4-methoxyphenyl)-4H,5H-<1>benzothiopyrano<4,3-b>pyran-3-carbonitrile-6-sulfone

Guidance literature:: With dihydrogen peroxide; acetic acid; for 18h; Ambient temperature;
DOI:10.1016/0223-5234(91)90033-J

Reference yield:

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

: 135521-76-5
1-amino-4-(4-methoxyphenyl)-4H,5H-<1>benzothiopyrano<4,3-b>pyran-3-carbonitrile-6-sulfone

Guidance literature:: Multi-step reaction with 2 steps

1: 31.2 percent / piperidine / ethanol / Ambient temperature

2: 39.3 percent / 35percent H₂O₂ / acetic acid / 18 h / 20 °C

With piperidine; dihydrogen peroxide; In ethanol; acetic acid;

Reference yield:

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

: 135521-76-5
1-amino-4-(4-methoxyphenyl)-4H,5H-<1>benzothiopyrano<4,3-b>pyran-3-carbonitrile-6-sulfone

Guidance literature:: Multi-step reaction with 3 steps

1: 62.4 percent / HCl / ethanol

2: 31.2 percent / piperidine / ethanol / Ambient temperature

3: 39.3 percent / 35percent H₂O₂ / acetic acid / 18 h / 20 °C

With piperidine; hydrogenchloride; dihydrogen peroxide; In ethanol; acetic acid;