1-Isobutyl-1H-pyrazole

Base Information

Chemical Name:1-Isobutyl-1H-pyrazole
CAS No.:725746-81-6
Molecular Formula:C7H12N2
Molecular Weight:124.18400
Hs Code.:2933199090
DSSTox Substance ID:DTXSID90596129
Wikidata:Q82491279
Mol file:725746-81-6.mol

Synonyms:1-Isobutyl-1H-pyrazole;725746-81-6;1-(2-methylpropyl)pyrazole;1-(2-methylpropyl)-1H-pyrazole;N-isobutylpyrazole;SCHEMBL2162547;DTXSID90596129;HGZORUNWJQFEJI-UHFFFAOYSA-N;AMY33024;1H-Pyrazole, 1-(2-methylpropyl)-;MFCD08558977;STK351477;AKOS003673815;LS-12299;DB-162637;CS-0196114;E90141;EN300-117712;Z431509688

Suppliers and Price of 1-Isobutyl-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

TRC
1-Isobutyl-1H-pyrazole
500mg
$ 155.00

SynQuest Laboratories
1-Isobutyl-1H-pyrazole 98%
5 g
$ 488.00

SynQuest Laboratories
1-Isobutyl-1H-pyrazole 98%
10 g
$ 840.00

SynQuest Laboratories
1-Isobutyl-1H-pyrazole 98%
1 g
$ 168.00

Matrix Scientific
1-Isobutyl-1H-pyrazole 97%
25g
$ 1440.00

Matrix Scientific
1-Isobutyl-1H-pyrazole 97%
10g
$ 756.00

Crysdot
1-Isobutyl-1H-pyrazole 95+%
10g
$ 440.00

Apolloscientific
1-Isobutyl-1H-pyrazole 98%
10g
$ 525.00

Apolloscientific
1-Isobutyl-1H-pyrazole 98%
1g
$ 105.00

Apolloscientific
1-Isobutyl-1H-pyrazole 98%
5g
$ 305.00

Total 5 raw suppliers

Chemical Property of 1-Isobutyl-1H-pyrazole

Chemical Property:

Boiling Point:176.7±9.0 °C(Predicted)
PKA:2.23±0.10(Predicted)
PSA：17.82000
Density:0.95±0.1 g/cm3(Predicted)
LogP:1.53910
XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:124.100048391
Heavy Atom Count:9
Complexity:81

Purity/Quality:

99% ^*data from raw suppliers

1-Isobutyl-1H-pyrazole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CN1C=CC=N1

Technology Process of 1-Isobutyl-1H-pyrazole

There total 2 articles about 1-Isobutyl-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: 100.0%

: 288-13-1
NH-pyrazole

: 78-77-3
Isobutyl bromide

: 725746-81-6
1-isobutyl-1H-pyrazole

Guidance literature:: With sodium hydroxide; tetrabutylammomium bromide; In water; methyl cyclohexane; at 110 ℃; for 5.5h; Product distribution / selectivity; Heating / reflux;

Reference yield: 41.0%

: 288-13-1
NH-pyrazole

: 513-38-2
Isobutyl iodide

: 725746-81-6
1-isobutyl-1H-pyrazole

Guidance literature:: NH-pyrazole; With potassium hydroxide; tetrabutylammomium bromide; for 0.833333h; Irradiation;

Isobutyl iodide; for 60h; Product distribution / selectivity;

Reference yield: 54.0%

: 725746-81-6
1-isobutyl-1H-pyrazole

: 847818-64-8
1-isobutyl-1H-pyrazol-5-ylboronic acid

Guidance literature:: 1-isobutyl-1H-pyrazole; With n-butyllithium; In tetrahydrofuran; hexane; at 5 - 20 ℃; for 1h;

With Trimethyl borate; In tetrahydrofuran; hexane; at -70 ℃; for 0.5h;

With ammonium chloride; In tetrahydrofuran; hexane; at -15 - 20 ℃; for 1h;
DOI:10.1002/jhet.5570410612