1-Methyl-3-phenyl-2-pyrazoline

Base Information

• Chemical Name: 1-Methyl-3-phenyl-2-pyrazoline
• CAS No.: 18076-03-4
• Molecular Formula: C10H12N2
• Molecular Weight: 160.219
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID60441995
• Nikkaji Number: J82.713D
• Wikidata: Q82259030
• Mol file: 18076-03-4.mol

Synonyms:1-Methyl-3-phenyl-2-pyrazoline;18076-03-4;2-methyl-5-phenyl-3,4-dihydropyrazole;AGN-PC-0N706P;SCHEMBL1122437;DTXSID60441995

Chemical Property of 1-Methyl-3-phenyl-2-pyrazoline

Chemical Property:

• PSA: 15.60000
• LogP: 1.09970
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.100048391
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(=N1)C2=CC=CC=C2

Technology Process of 1-Methyl-3-phenyl-2-pyrazoline

There total 9 articles about 1-Methyl-3-phenyl-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: 95.0%

3-chloropropiophenone (936-59-4) + benzoic acid hydrazide (613-94-5) + 4-methoxyphenylacetylen (768-60-5) → 1-methyl 3-phenyl Δ2-pyrazoline (18076-03-4)

Guidance literature:

With copper(I) oxide; In dichloromethane; at 50 ℃; for 24h; Inert atmosphere; Microwave irradiation; Schlenk technique; Glovebox;

DOI:10.1055/s-0037-1611041

Reference yield: 67.0%

(Z)-1-(3-chloro-1-phenylpropylidene)-2-methylhydrazine → 1-methyl 3-phenyl Δ2-pyrazoline (18076-03-4)

Guidance literature:

In ethanol; 1,2-dichloro-ethane; at 20 ℃; for 24h;

DOI:10.1016/j.cclet.2021.02.025

Reference yield: 63.0%

N-methoxy-N-methylbenzamide (6919-61-5) + vinyl magnesium bromide (1826-67-1) + methylhydrazine (60-34-4) → 1-methyl 3-phenyl Δ2-pyrazoline (18076-03-4)

Guidance literature:

N-methoxy-N-methylbenzamide; vinyl magnesium bromide; In tetrahydrofuran; at 0 - 20 ℃; for 1.16667h;

methylhydrazine; In tetrahydrofuran; water; at 20 ℃; for 0.333333h; Further stages.;

DOI:10.1021/jo0057497

upstream raw materials:

3-(methyl-nitroso-amino)-1-phenyl-propan-1-one

1,1-dimethyl-3-phenyl-4,5-dihydro-1H-pyrazolium; iodide

1,1-dimethyl-1-phenacylhydrazinium bromide

methanol

Downstream raw materials:

1-methyl-3-phenyl-1H-pyrazole

1,1-dimethyl-3-phenyl-4,5-dihydro-1H-pyrazolium; iodide