2-Pyrazoline

Base Information

• Chemical Name: 2-Pyrazoline
• CAS No.: 109-98-8
• Molecular Formula: C3H6 N2
• Molecular Weight: 70.094
• Hs Code.: 2933199090
• European Community (EC) Number: 203-725-2,252-878-1
• UNII: W1YN47L98V
• DSSTox Substance ID: DTXSID80870460
• Nikkaji Number: J135.600C
• Wikipedia: Pyrazoline
• Wikidata: Q27292205
• Mol file: 109-98-8.mol

Synonyms:2-Pyrazoline;109-98-8;4,5-Dihydro-1H-pyrazole;1H-Pyrazole, 4,5-dihydro-;36118-45-3;Pyrazole, dihydro-;4,5-dihydropyrazole;EINECS 252-878-1;UNII-W1YN47L98V;W1YN47L98V;EINECS 203-725-2;3,4-Dihydroxycinnamicacid;2-PYRAZOLINE [MI];.DELTA.2-PYRAZOLINE;DTXSID80870460;MFCD00059715;AKOS027470068;4,5-Dihydro-1H-pyrazole, AldrichCPR;GS-5535;LS-128419;CS-0205014;FT-0692371;P0547;F12428;J-002357;Q27292205

Chemical Property of 2-Pyrazoline

Chemical Property:

• Vapor Pressure: 6.54mmHg at 25°C
• Melting Point: 163-165 °C
• Refractive Index: 1.4870 to 1.4920
• Boiling Point: 144°C
• PKA: 4.60±0.70(Predicted)
• Flash Point: 40.9°C
• PSA: 24.39000
• Density: 1,02 g/cm3
• LogP: -0.27010
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 70.053098200
• Heavy Atom Count: 5
• Complexity: 48.9

Purity/Quality:

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

2-Pyrazoline ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNN=C1
• Uses: Organic synthesis

Technology Process of 2-Pyrazoline

There total 13 articles about 2-Pyrazoline 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: 78.0%

→ 4,5-dihydro-1H-pyrazole (109-98-8) + methylpyropheophorbide Pyrazoline

Guidance literature:

Reference yield:

3-(31,41 -dichloro-61 -methyl)-phenyl-Δ2 -pyrazoline-1-p-phenylsulphinic acid sodium salt + 2-methylamino-1-ethanesulphonic acid sodium salt (4316-74-9) + 2-chloropropionyl chloride (625-36-5) → 4,5-dihydro-1H-pyrazole (109-98-8)

Guidance literature:

With sodium hydroxide; sodium chloride; sodium carbonate; In 2-ethoxy-ethanol; water; acetic acid;

Reference yield:

3-(3',4'-dichloro-6'-methyl)-phenyl-4-methyl-Δ2 -pyrazoline-1-(p-phenylsulphinic acid) sodium salt + 2-methylamino-1-ethanesulphonic acid sodium salt (4316-74-9) + 2-chloropropionyl chloride (625-36-5) → 4,5-dihydro-1H-pyrazole (109-98-8)

Guidance literature:

With sodium hydroxide; sodium chloride; sodium carbonate; In 2-ethoxy-ethanol; water;

upstream raw materials:

diazomethane

ethene

NH-pyrazole

acrolein

Downstream raw materials:

4,5-dihydro-pyrazole-1-carbothioic acid anilide

1-benzenesulfonyl-4,5-dihydro-1H-pyrazole

1-(2,4-dinitrophenyl)-4,5-dihydro-1H-pyrazole

NH-pyrazole

Refernces

Synthesis and in vitro antitumor activity of new 4,5-dihydropyrazole derivatives

10.1016/j.bmc.2010.07.037

The research aims to develop new potential anticancer agents by synthesizing and evaluating a series of 3,5-diaryl-4,5-dihydropyrazole derivatives and their 1-acetylated analogs. The study focuses on incorporating a 3,4,5-trimethoxyphenyl moiety with various substituted phenyl rings to assess their antitumor activity. Key chemicals used include chalcones, hydrazine hydrate, and various substituted benzaldehydes and acetophenones for the synthesis of the pyrazoline derivatives. The compounds were tested for their cytotoxicity against a non-small cell lung carcinoma cell line (NCI-H460) and further evaluated on the NCI 60 human cancer cell line panel. The results showed that several compounds exhibited potent antiproliferative activity in the micromolar to submicromolar range, with compounds 31 and 39 demonstrating particularly strong activity against specific cancer cell lines. The study concluded that the introduction of a (hydroxy)acetyl group at the N-1 position of inactive pyrazolines significantly enhanced their cytotoxic and tubulin polymerization inhibitory effects. The findings suggest that the 3,5-diaryl-4,5-dihydropyrazole structure is a promising template for developing new anticancer chemotherapeutic agents, warranting further investigation.

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