3,5-Diisopropylpyrazole

Base Information

• Chemical Name: 3,5-Diisopropylpyrazole
• CAS No.: 17536-00-4
• Molecular Formula: C9H16 N2
• Molecular Weight: 152.24
• Hs Code.: 2933199090
• European Community (EC) Number: 679-808-6
• DSSTox Substance ID: DTXSID60413596
• Nikkaji Number: J1.156.996J
• Mol file: 17536-00-4.mol

Synonyms:3,5-Diisopropylpyrazole;17536-00-4;3,5-Diisopropyl-1H-pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1H-Pyrazole, 3,5-bis(1-methylethyl)-;1H-Pyrazole,3,5-bis(1-methylethyl)-;3,5-diisopropyl-pyrazole;SCHEMBL786337;DTXSID60413596;PJSJVTZSFIRYIZ-UHFFFAOYSA-N;MFCD00671516;3,5-bis(propan-2-yl)-1H-pyrazole;AKOS006228191;AKOS025394461;FS-2400;CS-0203556;D2407;FT-0637563;T70433;A812078

Chemical Property of 3,5-Diisopropylpyrazole

Chemical Property:

• Vapor Pressure: 3.67E-14mmHg at 25°C
• Melting Point: 88 °C
• Refractive Index: 1.462
• Boiling Point: 595.8°C at 760 mmHg
• Flash Point: 53.7°C
• PSA: 28.68000
• Density: 0.862g/cm³
• LogP: 2.65650
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 152.131348519
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,5-Diisopropylpyrazole ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=NN1)C(C)C

Technology Process of 3,5-Diisopropylpyrazole

There total 5 articles about 3,5-Diisopropylpyrazole 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%

2,6-dimethyl-3,5-heptanedione (18362-64-6) → 3,5-diisopropylpyrazole (17536-00-4)

Guidance literature:

With hydrazine; In ethanol; at 20 ℃; for 2h;

Reference yield: 80.0%

3,5-diisopropyl-1-[2-(toluene-4-sulfonyl)-ethyl]-1H-pyrazole (671246-69-8) → 3,5-diisopropylpyrazole (17536-00-4)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at -30 - 20 ℃;

DOI:10.1016/j.tet.2003.11.046

Reference yield:

3-methyl-butan-2-one (563-80-4) → 3,5-diisopropylpyrazole (17536-00-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) lithium amide / 1.) Et₂O, 2.) Et₂O, reflux, 8 h

2: 41 percent / hydrazine monohydrate / ethanol / 10 h / Heating

With lithium amide; hydrazine hydrate; In ethanol;

upstream raw materials:

2,6-dimethyl-3,5-heptanedione

3,5-diisopropyl-1-[2-(toluene-4-sulfonyl)-ethyl]-1H-pyrazole

3-methyl-butan-2-one

(Z)-9-octadecen-1-amine

Downstream raw materials:

[(3,5-diisopropylpyrazole)4Mn(p-nitrobenzoate)2]

[(3,5-diisopropylpyrazole)4Mn(p-fluorobenzoate)2]

di(3,5-diisopropylpyrazole)dicobalt(II)di(μ-3,5-diisopropylpyrazolato)di(p-nitrobenzoate)

[(Hg3(μ-η1:η1-iPr2pz)4(C6F5)2]

Refernces

• 1、 -. "SULFONIMIDAMIDE COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY". Paragraph 0646. . Retrieved 2020/02/14.
• 2、 Wu, Fengshou,Tong, Hongbo,Wang, Kai,Zhang, Xiulan,Zhang, Jie,Wong, Wai-Kwok,Zhu, Xunjin. "Synthesis, crystal structure and photophysical study of luminescent three-coordinate cuprous bromide complexes based on pyrazole derivatives". . p. 926 - 933. Retrieved 2016/04/08.