3-(2-Chlorophenyl)-1H-Pyrazole

Base Information

• Chemical Name: 3-(2-Chlorophenyl)-1H-Pyrazole
• CAS No.: 59843-55-9
• Molecular Formula: C9H7ClN2
• Molecular Weight: 178.621
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID20370954
• Nikkaji Number: J3.158.357H,J2.326.836A
• Wikidata: Q82158145
• Mol file: 59843-55-9.mol

Synonyms:3-(2-Chlorophenyl)-1H-Pyrazole;59843-55-9;5-(2-chlorophenyl)-1H-pyrazole;3-(2-Chlorophenyl)pyrazole;1H-Pyrazole, 3-(2-chlorophenyl)-;3-(2-Chloro-phenyl)-1h-pyrazole;3-(2'-chlorophenyl)-1H-pyrazole;3-o-chlorophenylpyrazole;SCHEMBL3252001;DTXSID20370954;DWBQZNMWKPXWEK-UHFFFAOYSA-N;MFCD00111882;AKOS005069667;FT-0680094;3-(2-chlorophenyl)-1H-pyrazole, AldrichCPR;A853152;12T-0845;J-510499

Chemical Property of 3-(2-Chlorophenyl)-1H-Pyrazole

Chemical Property:

• Vapor Pressure: 0.000119mmHg at 25°C
• Melting Point: 76-77
• Refractive Index: 1.615
• Boiling Point: 346 °C at 760 mmHg
• Flash Point: 193.8 °C
• PSA: 28.68000
• Density: 1.292 g/cm³
• LogP: 2.73010
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 178.0297759
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-Chlorophenyl)pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=CC=NN2)Cl

Technology Process of 3-(2-Chlorophenyl)-1H-Pyrazole

There total 3 articles about 3-(2-Chlorophenyl)-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: 99.0%

3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole (844501-71-9,1086111-17-2) + 2-iodochlorobenzene (615-41-8) → 3-(2'-chlorophenyl)-1H-pyrazole (59843-55-9)

Guidance literature:

With caesium carbonate; tetrakis(triphenylphosphine)palladium ⁽⁰⁾; In 1,4-dioxane; water; at 150 ℃; for 0.833333h; Sealed tube; Microwave irradiation;

Reference yield: 74.0%

5-(2-chloro-phenyl)-1-(tetrahydro-pyran-2-yl)-1H-pyrazole (903550-31-2) → 3-(2'-chlorophenyl)-1H-pyrazole (59843-55-9)

Guidance literature:

With hydrogenchloride; ethanol; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2006.04.125

Reference yield:

→ 3-(2'-chlorophenyl)-1H-pyrazole (59843-55-9)

Guidance literature:

With diethyl ether; hydrazine hydrate;

upstream raw materials:

5-(2-chloro-phenyl)-1-(tetrahydro-pyran-2-yl)-1H-pyrazole

3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole

2-iodochlorobenzene

Downstream raw materials:

2-(o-chlorophenyl)-6-ethoxycarbonyl-7-methylpyrazolo[1,5-a]pyrimidine

N-(4-(4-bromo-3-(2-chlorophenyl)-1H-pyrazol-1-yl)-5-methylpyridin-2-yl)acetamide

N-{4-[4-(6-aminopyridin-2-yl)-3-(2-chlorophenyl)-1H-pyrazol-1-yl]-5-methylpyridin-2-yl}acetamide

[Ag(μ-3-(o-Cl-C₆H₄)pz)]₃

Refernces

• 1、 Gérard, Anne-Laure,Bouillon, Alexandre,Mahatsekake, Clément,Collot, Valérie,Rault, Sylvain. "Efficient and simple synthesis of 3-aryl-1H-pyrazoles". . p. 4665 - 4669. Retrieved 2007/10/03.