1-(4-Hydroxymethylphenyl)-3-methyl-2-pyrazolin-5-one

Base Information

Chemical Name:1-(4-Hydroxymethylphenyl)-3-methyl-2-pyrazolin-5-one
CAS No.:107430-43-3
Molecular Formula:C11H12N2O2
Molecular Weight:204.228
Hs Code.:
DSSTox Substance ID:DTXSID40437891
Wikidata:Q82253490
Mol file:107430-43-3.mol

Synonyms:107430-43-3;1-(4-hydroxymethylphenyl)-3-methyl-2-pyrazolin-5-one;SCHEMBL4663098;DTXSID40437891;NYCKNDCJKMLXJE-UHFFFAOYSA-N;1-(4-(Hydroxymethyl)phenyl)-3-methyl-1H-pyrazol-5(4H)-one;2-[4-(Hydroxymethyl)phenyl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Suppliers and Price of 1-(4-Hydroxymethylphenyl)-3-methyl-2-pyrazolin-5-one

Supply Marketing:

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

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Chemical Property of 1-(4-Hydroxymethylphenyl)-3-methyl-2-pyrazolin-5-one

Chemical Property:

XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:204.089877630
Heavy Atom Count:15
Complexity:280

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN(C(=O)C1)C2=CC=C(C=C2)CO

Technology Process of 1-(4-Hydroxymethylphenyl)-3-methyl-2-pyrazolin-5-one

There total 3 articles about 1-(4-Hydroxymethylphenyl)-3-methyl-2-pyrazolin-5-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: 35.0%

: chloroform-ethanl

: 541-41-3
chloroformic acid ethyl ester

: 60875-16-3
4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid

: 107430-43-3
1-(4-hydroxymethylphenyl)-3-methyl-2-pyrazolin-5-one

Guidance literature:: With sodium tetrahydroborate; triethylamine; In tetrahydrofuran; chloroform; water;

Reference yield:

: 60875-16-3
4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid

: 107430-43-3
1-(4-hydroxymethylphenyl)-3-methyl-2-pyrazolin-5-one

Guidance literature:: 4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid; With chloroformic acid ethyl ester; triethylamine; In chloroform; at 0 - 21 ℃; for 2.33333h;

With sodium tetrahydroborate; water; at 20 - 35 ℃; for 2.1h;

With hydrogenchloride; In water; pH=4;