3-(4-nitrophenyl)-4,7,8,9-tetrahydro-5H-thiocino[4,5-d]isoxazole

Base Information

Chemical Name:3-(4-nitrophenyl)-4,7,8,9-tetrahydro-5H-thiocino[4,5-d]isoxazole
CAS No.:94832-93-6
Molecular Formula:C14H14N2O3S
Molecular Weight:290.343
Hs Code.:
DSSTox Substance ID:DTXSID401172620

Synonyms:DTXSID401172620;3-(4-nitrophenyl)-4,7,8,9-tetrahydro-5H-thiocino[4,5-d]isoxazole;3-(4-nitrophenyl)-5,7,8,9-tetrahydro-4H-thiocino[4,5-d]isoxazole;4,7,8,9-Tetrahydro-3-(4-nitrophenyl)-5H-thiocino[4,5-d]isoxazole;94832-93-6

Suppliers and Price of 3-(4-nitrophenyl)-4,7,8,9-tetrahydro-5H-thiocino[4,5-d]isoxazole

Supply Marketing:

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

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Chemical Property of 3-(4-nitrophenyl)-4,7,8,9-tetrahydro-5H-thiocino[4,5-d]isoxazole

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:290.07251349
Heavy Atom Count:20
Complexity:342

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC2=C(CCSC1)C(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 3-(4-nitrophenyl)-4,7,8,9-tetrahydro-5H-thiocino[4,5-d]isoxazole

There total 4 articles about 3-(4-nitrophenyl)-4,7,8,9-tetrahydro-5H-thiocino[4,5-d]isoxazole 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: 91.0%

: 93582-90-2
3-(4-Nitrophenyl)-9a-morpholino-3a,4,5,8,9,9a-hexahydrothiocino<4,5-d>isozazole

: 94832-93-6
6-(4-Nitrophenyl)-4,5,8,9-tetrahydrothiocino<4,5-d>isoxazole

Guidance literature:: With hydrogenchloride; In ethanol; for 24h; Heating;
DOI:10.1002/jhet.5570210438

Reference yield:

: 20701-80-8
thiocan-5-one

: 94832-93-6
6-(4-Nitrophenyl)-4,5,8,9-tetrahydrothiocino<4,5-d>isoxazole

Guidance literature:: Multi-step reaction with 3 steps

1: 53 percent / Titanium tetrachloride / pentane; benzene / 24 h / Ambient temperature

2: 25 percent / Triethylamine / acetonitrile / 36 h

3: 91 percent / 10percent aq. HCl / ethanol / 24 h / Heating

With hydrogenchloride; titanium tetrachloride; triethylamine; In ethanol; acetonitrile; pentane; benzene;
DOI:10.1002/jhet.5570210438

Reference yield:

: 89774-18-5
1,7-Dibromo-4-heptanone

: 94832-93-6
6-(4-Nitrophenyl)-4,5,8,9-tetrahydrothiocino<4,5-d>isoxazole

Guidance literature:: Multi-step reaction with 4 steps

1: 40 percent / Sodium sulphide / ethanol / 48 h / Heating

2: 53 percent / Titanium tetrachloride / pentane; benzene / 24 h / Ambient temperature

3: 25 percent / Triethylamine / acetonitrile / 36 h

4: 91 percent / 10percent aq. HCl / ethanol / 24 h / Heating

With hydrogenchloride; sodium sulfide; titanium tetrachloride; triethylamine; In ethanol; acetonitrile; pentane; benzene;
DOI:10.1002/jhet.5570210438