3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-

Base Information

Chemical Name:3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-
CAS No.:102689-18-9
Molecular Formula:C₂₃H₂₆N₂OS
Molecular Weight:378.538
Hs Code.:
DSSTox Substance ID:DTXSID30907992
Mol file:102689-18-9.mol

Synonyms:102689-18-9;4-Benzyl-1-(2,2-dimethyltetrahydro-2H-thiopyran-4-yl)-3-phenyl-1H-pyrazol-5(4H)-one;BRN 5609365;3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-;DTXSID30907992;4-Benzyl-2-(2,2-dimethylthian-4-yl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one

Suppliers and Price of 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-

Supply Marketing:

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

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-

Chemical Property:

XLogP3:5.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:378.17658463
Heavy Atom Count:27
Complexity:561

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC(CCS1)N2C(=O)C(C(=N2)C3=CC=CC=C3)CC4=CC=CC=C4)C

Technology Process of 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)-

There total 4 articles about 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)- 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%

: 102689-14-5
2,2-Dimethyl-4-hydrazinotetrahydrothiopyran

: 56409-75-7
ethyl 2-benzyl-3-oxo-3-phenylpropanoate

: 102689-18-9
4-Benzyl-2-(2,2-dimethyl-tetrahydro-thiopyran-4-yl)-5-phenyl-2,4-dihydro-pyrazol-3-one

Guidance literature:: 1.) 80 deg C, 4 h, 2.) 110 deg C, 2 h, 3.) 130 deg C, 5 h;
DOI:10.1007/BF00766685

Reference yield:

: 2323-13-9
2,2-dimethylthian-4-one

: 102689-18-9
4-Benzyl-2-(2,2-dimethyl-tetrahydro-thiopyran-4-yl)-5-phenyl-2,4-dihydro-pyrazol-3-one

Guidance literature:: Multi-step reaction with 4 steps

1: 90 percent / 0.25 h / 20 °C

2: 80 percent / NaBH₄ / aq. ethanol

3: 60 percent / 4 M aq. HCl / ethanol / 6 h / Heating

4: 75 percent / 1.) 80 deg C, 4 h, 2.) 110 deg C, 2 h, 3.) 130 deg C, 5 h

With hydrogenchloride; sodium tetrahydroborate; In ethanol;
DOI:10.1007/BF00766685

Reference yield:

: 102689-12-3
1-Acetyl-2-(2,2-dimethyl-4-tetrahydrothiopyranyl)hydrazine

: 102689-18-9
4-Benzyl-2-(2,2-dimethyl-tetrahydro-thiopyran-4-yl)-5-phenyl-2,4-dihydro-pyrazol-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / 4 M aq. HCl / ethanol / 6 h / Heating

2: 75 percent / 1.) 80 deg C, 4 h, 2.) 110 deg C, 2 h, 3.) 130 deg C, 5 h

With hydrogenchloride; In ethanol;
DOI:10.1007/BF00766685