1-(4-Methoxybenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Base Information

Chemical Name:1-(4-Methoxybenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid
CAS No.:625386-11-0
Molecular Formula:C12H11N3O5
Molecular Weight:277.236
Hs Code.:
DSSTox Substance ID:DTXSID90477040
Nikkaji Number:J2.072.684I
Wikidata:Q82309107

Synonyms:625386-11-0;1-(4-Methoxybenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid;SCHEMBL6169282;DTXSID90477040;WCJKCPSVMQAHRO-UHFFFAOYSA-N;1H-Pyrazole-5-carboxylic acid, 1-[(4-methoxyphenyl)methyl]-3-nitro-;N-4-methoxybenzyl-3-nitro-pyrazole-5 carboxylic acid

Suppliers and Price of 1-(4-Methoxybenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 1-(4-Methoxybenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:277.06987046
Heavy Atom Count:20
Complexity:365

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)CN2C(=CC(=N2)[N+](=O)[O-])C(=O)O

Technology Process of 1-(4-Methoxybenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid

There total 2 articles about 1-(4-Methoxybenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid 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: 99.0%

: 625386-10-9
2-(4-methoxybenzyl)-5-nitro-2H-pyrazole-3-carboxylic acid methyl ester

: 625386-11-0
2-(4-methoxybenzyl)-5-nitro-2H-pyrazole-3-carboxylic acid

Guidance literature:: With methanol; sodium hydroxide; In tetrahydrofuran; at 20 ℃;

Reference yield:

: 2746-25-0
p-Methoxybenzyl bromide

: 625386-11-0
2-(4-methoxybenzyl)-5-nitro-2H-pyrazole-3-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / K₂CO₃ / dimethylformamide / 18 h / 50 °C

2: 92 percent / aq. LiOH / methanol; tetrahydrofuran / 16 h / Heating

With lithium hydroxide; potassium carbonate; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;
DOI:10.1055/s-2003-41031

Reference yield: 99.0%

: 5680-79-5,883886-67-7
glycine ethyl ester hydrochloride

: 625386-11-0
2-(4-methoxybenzyl)-5-nitro-2H-pyrazole-3-carboxylic acid

: {[2-(4-methoxy-benzyl)-5-nitro-2H-pyrazole-3-carbonyl]-amino}-acetic acid methyl ester

Guidance literature:: With N-ethyl-N,N-diisopropylamine; chlorotri(pyrrolidin-1-yl)phosphonium hexafluorophosphate; In dichloromethane; at 20 ℃; for 16h;
DOI:10.1021/jo0496603