3H-Pyrazol-3-one, 1,2-dihydro-5-amino-1-phenyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-

Base Information

Chemical Name:3H-Pyrazol-3-one, 1,2-dihydro-5-amino-1-phenyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-
CAS No.:115596-45-7
Molecular Formula:C₁₆H₂₁N₃O₂
Molecular Weight:287.362
Hs Code.:
DSSTox Substance ID:DTXSID60921762
Mol file:115596-45-7.mol

Synonyms:115596-45-7;BRN 5584755;3H-Pyrazol-3-one, 1,2-dihydro-5-amino-1-phenyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-;5-Amino-4-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1-phenyl-1H-pyrazol-3(2H)-one;DTXSID60921762;LS-129013;5-Amino-4-(2,2-dimethyloxan-4-yl)-1-phenyl-1H-pyrazol-3-ol

Suppliers and Price of 3H-Pyrazol-3-one, 1,2-dihydro-5-amino-1-phenyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-

Supply Marketing:

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

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Chemical Property of 3H-Pyrazol-3-one, 1,2-dihydro-5-amino-1-phenyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.183g/cm³
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:287.16337692
Heavy Atom Count:21
Complexity:452

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC(CCO1)C2=C(N(NC2=O)C3=CC=CC=C3)N)C

Technology Process of 3H-Pyrazol-3-one, 1,2-dihydro-5-amino-1-phenyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-

There total 2 articles about 3H-Pyrazol-3-one, 1,2-dihydro-5-amino-1-phenyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-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: 68.0%

: 103660-73-7
Ethyl (2,2-dimethyl-4-tetrahydropyranyl)cyanoacetate

: 100-63-0
phenylhydrazine

: 115596-45-7
5-Amino-4-(2,2-dimethyl-tetrahydro-pyran-4-yl)-1-phenyl-1H-pyrazol-3-ol

Guidance literature:: for 2h; Heating;
DOI:10.1007/BF00768246

Reference yield:

: 64792-49-0
Ethyl (2,2-dimethyl-4-tetrahydropyranylidene)cyanoacetate

: 115596-45-7
5-Amino-4-(2,2-dimethyl-tetrahydro-pyran-4-yl)-1-phenyl-1H-pyrazol-3-ol

Guidance literature:: Multi-step reaction with 2 steps

1: 62.7 percent / NaBH₄ / ethanol / 1 h

2: 68 percent / 2 h / Heating

With sodium tetrahydroborate; In ethanol;
DOI:10.1007/BF00768246