1-(4-methylbenzyl)-4-nitro-1H-pyrazole

Base Information

Chemical Name:1-(4-methylbenzyl)-4-nitro-1H-pyrazole
CAS No.:400877-60-3
Molecular Formula:C₁₁H₁₁N₃O₂
Molecular Weight:217.227
Hs Code.:
DSSTox Substance ID:DTXSID101245864
Mol file:400877-60-3.mol

Synonyms:1-(4-methylbenzyl)-4-nitro-1H-pyrazole;400877-60-3;1-[(4-Methylphenyl)methyl]-4-nitro-1H-pyrazole;1-(4-Methyl-benzyl)-4-nitro-1H-pyrazole;1-[(4-methylphenyl)methyl]-4-nitropyrazole;SCHEMBL14228185;DTXSID101245864;1-(p-methylbenzyl)-4-nitropyrazole;BBL038515;MFCD02029346;STK312183;AKOS000310300;AKOS015922155;AS-67098;EN300-229629;W18831

Suppliers and Price of 1-(4-methylbenzyl)-4-nitro-1H-pyrazole

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

Crysdot
1-(4-Methylbenzyl)-4-nitro-1H-pyrazole 97%
1g
$ 583.00

Chemenu
1-[(4-Methylphenyl)methyl]-4-nitro-1h-pyrazole 95%+
1g
$ 562.00

American Custom Chemicals Corporation
1-(4-METHYL-BENZYL)-4-NITRO-1H-PYRAZOLE 95.00%
5MG
$ 496.23

Total 2 raw suppliers

Chemical Property of 1-(4-methylbenzyl)-4-nitro-1H-pyrazole

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:217.085126602
Heavy Atom Count:16
Complexity:246

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Methylbenzyl)-4-nitro-1H-pyrazole 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)CN2C=C(C=N2)[N+](=O)[O-]

Technology Process of 1-(4-methylbenzyl)-4-nitro-1H-pyrazole

There total 2 articles about 1-(4-methylbenzyl)-4-nitro-1H-pyrazole 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: 87.0%

: 2075-46-9
4-nitro-1H-pyrazole

: 104-81-4
4-Methylbenzyl bromide

: 400877-60-3
1-[(4-methylphenyl)methyl]-4-nitro-1H-pyrazole

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 90 ℃; for 8h; Inert atmosphere; Schlenk technique;
DOI:10.1021/jo4025418

Reference yield: 3.0%

: 2075-46-9
4-nitro-1H-pyrazole

: 106-42-3
para-xylene

: 400877-60-3
1-[(4-methylphenyl)methyl]-4-nitro-1H-pyrazole

Guidance literature:: With C₄H₁₂N⁽¹⁺⁾*C₃H₂N₃O₂^(1-); In acetonitrile; Electrolysis;
DOI:10.1023/A:1014023310543

Reference yield: 83.0%

: 626-55-1,163928-56-1
3-Bromopyridine

: 400877-60-3
1-[(4-methylphenyl)methyl]-4-nitro-1H-pyrazole

: 1584233-71-5
3-{1-[(4-methylphenyl)methyl]-4-nitro-1H-pyrazol-5-yl}pyridine

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; potassium carbonate; Trimethylacetic acid; In N,N-dimethyl-formamide; at 120 ℃; regioselective reaction; Schlenk technique; Inert atmosphere;
DOI:10.1021/jo4025418