5-Isobutyl-4-nitro-1H-pyrazole-3-carboxylic Acid

Base Information

Chemical Name:5-Isobutyl-4-nitro-1H-pyrazole-3-carboxylic Acid
CAS No.:222729-55-7
Molecular Formula:C₈H₁₁N₃O₄
Molecular Weight:213.193
Hs Code.:
DSSTox Substance ID:DTXSID80450100
Nikkaji Number:J1.133.603E
Wikidata:Q82269675
Mol file:222729-55-7.mol

Synonyms:5-Isobutyl-4-nitro-1H-pyrazole-3-carboxylic Acid;222729-55-7;5-(2-methylpropyl)-4-nitro-1H-pyrazole-3-carboxylic Acid;3-(2-methylpropyl)-4-nitro-1H-pyrazole-5-carboxylic acid;3-isobutyl-4-nitro-1H-pyrazole-5-carboxylic acid;SCHEMBL6366344;DTXSID80450100;GWHMCRICRIJFNS-UHFFFAOYSA-N;BBL032746;STL238175;AKOS000136623;AKOS015997382;VS-11500;FT-0670428;5-isobutyl-4-nitro-1H-pyrazol-3-carboxylic acid;5-Isobutyl-4-nitro-1H-pyrazole-3-carboxylicAcid

Suppliers and Price of 5-Isobutyl-4-nitro-1H-pyrazole-3-carboxylic Acid

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

TRC
5-Isobutyl-4-nitro-1H-pyrazole-3-carboxylicAcid
100mg
$ 165.00

Crysdot
5-Isobutyl-4-nitro-1H-pyrazole-3-carboxylicacid 97%
1g
$ 302.00

Crysdot
5-Isobutyl-4-nitro-1H-pyrazole-3-carboxylicacid 97%
10g
$ 792.00

Crysdot
5-Isobutyl-4-nitro-1H-pyrazole-3-carboxylicacid 97%
5g
$ 569.00

aablocks
5-Isobutyl-4-nitro-1H-pyrazole-3-carboxylicacid
5g
$ 857.00

aablocks
5-Isobutyl-4-nitro-1H-pyrazole-3-carboxylicacid
1g
$ 379.00

Total 2 raw suppliers

Chemical Property of 5-Isobutyl-4-nitro-1H-pyrazole-3-carboxylic Acid

Chemical Property:

Boiling Point:437.6±45.0 °C(Predicted)
PKA:1.48±0.35(Predicted)
PSA：111.80000
Density:1.406±0.06 g/cm3(Predicted)
LogP:1.73780
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:213.07495584
Heavy Atom Count:15
Complexity:263

Purity/Quality:

95% ^*data from raw suppliers

5-Isobutyl-4-nitro-1H-pyrazole-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC1=C(C(=NN1)C(=O)O)[N+](=O)[O-]

Technology Process of 5-Isobutyl-4-nitro-1H-pyrazole-3-carboxylic Acid

There total 2 articles about 5-Isobutyl-4-nitro-1H-pyrazole-3-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: 84.0%

: 92933-49-8
3-(2-methylpropyl)-1H-pyrazole-5 -carboxylic acid

: 222729-55-7
3-Isobutyl-4-nitropyrazole-5-carboxylic acid

Guidance literature:: With sulfuric acid; nitric acid; at 100 ℃; for 6h;
DOI:10.1055/s-1999-3418

Reference yield:

: Ethyl 6-methyl-2,4-dioxoheptanoate sodium salt

: 222729-55-7
3-Isobutyl-4-nitropyrazole-5-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 58 percent / hydrazine sulfate, KOH, H₂O / 1.) 0 deg C, 30 min, 2.) 0 deg C, 10 min

2: 84 percent / oleum, HNO₃ / 6 h / 100 °C

With potassium hydroxide; sulfuric acid; water; nitric acid; hydrazinium sulfate;
DOI:10.1055/s-1999-3418