3-(3-Methoxyphenyl)-1H-Pyrazole

Base Information

• Chemical Name: 3-(3-Methoxyphenyl)-1H-Pyrazole
• CAS No.: 144026-74-4
• Molecular Formula: C₁₀H₁₀N₂O
• Molecular Weight: 174.202
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID00371585
• Nikkaji Number: J2.326.838H
• Wikidata: Q82158954
• Mol file: 144026-74-4.mol

Synonyms:3-(3-Methoxyphenyl)-1H-Pyrazole;144026-74-4;5-(3-methoxyphenyl)-1H-pyrazole;1H-Pyrazole, 3-(3-methoxyphenyl)-;3-(3-METHOXY-PHENYL)-1H-PYRAZOLE;SCHEMBL12782331;SCHEMBL20769936;DTXSID00371585;JAZQIOZMPNVSII-UHFFFAOYSA-N;MFCD01940432;STK508833;AKOS002658115;PS-4869;NCGC00323981-01;FT-0730783;3-(3-Methoxyphenyl)-1H-pyrazole, AldrichCPR;F20006;AB01318971-02;A884837

Chemical Property of 3-(3-Methoxyphenyl)-1H-Pyrazole

Chemical Property:

• Vapor Pressure: 3.58E-05mmHg at 25°C
• Melting Point: 90-91℃
• Refractive Index: 1.58
• Boiling Point: 364.2°Cat760mmHg
• PKA: 13.26±0.10(Predicted)
• Flash Point: 132.8°C
• PSA: 37.91000
• Density: 1.159g/cm³
• LogP: 2.08530
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

98%min ^*data from raw suppliers

3-(3-Methoxyphenyl)-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C2=CC=NN2
• Uses: 3-(3-Methoxyphenyl)-1H-pyrazole is used as pharmaceutical intermediates.

Technology Process of 3-(3-Methoxyphenyl)-1H-Pyrazole

There total 5 articles about 3-(3-Methoxyphenyl)-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: 92.0%

3-(3-methoxyphenyl)-3-oxopropanal → 3(5)-(3'-methoxyphenyl)pyrazole (144026-74-4)

Guidance literature:

With hydrazine; In ethanol; for 3h; Reflux;

Reference yield: 84.0%

3-(3-methoxyphenyl)prop-2-yn-1-ol (27913-19-5) → 3(5)-(3'-methoxyphenyl)pyrazole (144026-74-4)

Guidance literature:

With nickel(II) triflate; N-iodo-succinimide; toluene-4-sulfonic acid hydrazide; In toluene; at 111 ℃; for 5h; Sealed tube;

Reference yield: 76.0%

5-(3-methoxy-phenyl)-1-(tetrahydro-pyran-2-yl)-1H-pyrazole (903550-33-4) → 3(5)-(3'-methoxyphenyl)pyrazole (144026-74-4)

Guidance literature:

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

DOI:10.1016/j.tetlet.2006.04.125

upstream raw materials:

5-(3-methoxy-phenyl)-1-(tetrahydro-pyran-2-yl)-1H-pyrazole

1-(3-methoxyphenyl)-2-phenylethanone

3-(3-methoxyphenyl)prop-2-yn-1-ol

1′-(3-methoxyphenyl)-2′-phenylethan-2′-one

Refernces

• 1、 -. "Preparation method of pyrazole derivative (by machine translation)". Paragraph 0096-0100. . Retrieved 2019/12/02.
• 2、 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.