4-(4-Isopropoxybenzyl)-5-methyl-1H-pyrazol-3(2H)-one

Base Information

Chemical Name:4-(4-Isopropoxybenzyl)-5-methyl-1H-pyrazol-3(2H)-one
CAS No.:329044-14-6
Molecular Formula:C₁₄H₁₈N₂O₂
Molecular Weight:246.309
Hs Code.:
European Community (EC) Number:608-798-8
DSSTox Substance ID:DTXSID401145514
Nikkaji Number:J2.501.257G

Synonyms:329044-14-6;5-methyl-4-[(4-propan-2-yloxyphenyl)methyl]-1,2-dihydropyrazol-3-one;4-(4-Isopropoxybenzyl)-5-methyl-1H-pyrazol-3(2H)-one;5-methyl-4-{[4-(propan-2-yloxy)phenyl]methyl}-2,3-dihydro-1H-pyrazol-3-one;SCHEMBL2253214;MDCOBRPJDJNKOA-UHFFFAOYSA-N;DTXSID401145514;1,2-dihydro-4-[(4-isopropoxy-phenyl)methyl]-5-methyl-3h-pyrazol-3-one;1,2-Dihydro-4-[(4-isopropoxyphenyl)methyl]-5-methyl-3H-pyrazol-3-one;4-[(4-isopropoxyphenyl)methyl]-5-methyl-1,2-dihydro-3h-pyrazol-3-one;1,2-Dihydro-5-methyl-4-[[4-(1-methylethoxy)phenyl]methyl]-3H-pyrazol-3-one;5-methyl-4-({4-[(1-methylethyl) oxy]phenyl}methyl)-1,2-dihydro-3H-pyrazol-3-one

Suppliers and Price of 4-(4-Isopropoxybenzyl)-5-methyl-1H-pyrazol-3(2H)-one

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
Packaging
price

Total 7 raw suppliers

Chemical Property of 4-(4-Isopropoxybenzyl)-5-methyl-1H-pyrazol-3(2H)-one

Chemical Property:

PKA:8.93±0.70(Predicted)
Density:1.108±0.06 g/cm3(Predicted)
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:246.136827821
Heavy Atom Count:18
Complexity:342

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(=O)NN1)CC2=CC=C(C=C2)OC(C)C

Technology Process of 4-(4-Isopropoxybenzyl)-5-methyl-1H-pyrazol-3(2H)-one

There total 6 articles about 4-(4-Isopropoxybenzyl)-5-methyl-1H-pyrazol-3(2H)-one 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:

: 1401335-14-5
methyl 2-[(4-isopropoxyphenyl)methyl]-3-oxobutanoate

: 329044-14-6
1,2-dihydro-4-[(4-isopropoxyphenyl)methyl]-5-methyl-3H-pyrazol-3-one

Guidance literature:: With hydrazine; In toluene; at 80 ℃;

Reference yield:

: 40141-12-6
1-(Chloromethyl)-4-(1-methylethoxy)benzene

: 329044-14-6
1,2-dihydro-4-[(4-isopropoxyphenyl)methyl]-5-methyl-3H-pyrazol-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine; lithium chloride; potassium iodide / toluene; N,N-dimethyl-formamide / 12 h / 50 - 70 °C

2: hydrazine hydrate / toluene / 12 h / 20 - 70 °C

With hydrazine hydrate; N-ethyl-N,N-diisopropylamine; potassium iodide; lithium chloride; In N,N-dimethyl-formamide; toluene;
DOI:10.1248/cpb.c15-00982

Reference yield:

: 82657-71-4
(4-isopropoxyphenyl)methanol

: 329044-14-6
1,2-dihydro-4-[(4-isopropoxyphenyl)methyl]-5-methyl-3H-pyrazol-3-one

Guidance literature:: Multi-step reaction with 3 steps

1: triethylamine / tetrahydrofuran / 0.5 h / 20 °C

2: sodium hydride / 1,2-dimethoxyethane / 80 °C

3: hydrazine / toluene / 80 °C

With sodium hydride; triethylamine; hydrazine; In tetrahydrofuran; 1,2-dimethoxyethane; toluene;