1-(o-Tolyl)-1H-pyrazole

Base Information

• Chemical Name: 1-(o-Tolyl)-1H-pyrazole
• CAS No.: 20157-44-2
• Molecular Formula: C10H10N2
• Molecular Weight: 158.203
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID50517077
• Nikkaji Number: J2.115.096G
• Wikidata: Q82378824
• Mol file: 20157-44-2.mol

Synonyms:1-(o-Tolyl)-1H-pyrazole;20157-44-2;1-o-tolyl-1H-pyrazole;1H-Pyrazole, 1-(2-methylphenyl)-;1-(2-METHYLPHENYL)PYRAZOLE;1-(2-Methylphenyl)-1H-pyrazole;1-O-TOLYLPYRAZOLE;N-tolyl-pyrazole;SCHEMBL2454736;DTXSID50517077;FBJOICPYOFJUBH-UHFFFAOYSA-N;1-o-Tolyl-1H-pyrazole, AldrichCPR;MFCD12192640;AKOS009581999;DS-6764;CS-0152953;A909238

Chemical Property of 1-(o-Tolyl)-1H-pyrazole

Chemical Property:

• Boiling Point: 100 °C(Press: 1 Torr)
• PKA: 0.24±0.10(Predicted)
• PSA: 17.82000
• Density: 1.04±0.1 g/cm3(Predicted)
• LogP: 2.18070
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

1-(o-Tolyl)-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1N2C=CC=N2

Technology Process of 1-(o-Tolyl)-1H-pyrazole

There total 17 articles about 1-(o-Tolyl)-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: 94.0%

NH-pyrazole (288-13-1) + ortho-methylphenyl iodide (615-37-2) → 1-o-tolyl-1H-pyrazole (20157-44-2)

Guidance literature:

With caesium carbonate; copper(I) oxide; In acetonitrile; at 82 ℃; for 70h;

DOI:10.1002/ejoc.200300709

Reference yield: 94.0%

→ 1-o-tolyl-1H-pyrazole (20157-44-2)

Guidance literature:

Reference yield: 91.0%

NH-pyrazole (288-13-1) + 2-methylphenyl bromide (95-46-5) → 1-o-tolyl-1H-pyrazole (20157-44-2)

Guidance literature:

With caesium carbonate; copper(I) oxide; In N,N-dimethyl-formamide; at 110 ℃; for 18h;

DOI:10.1002/adsc.200700408

upstream raw materials:

2-methylphenylhydrazine

epichlorohydrin

NH-pyrazole

ortho-methylphenyl iodide

Downstream raw materials:

1,1′-(3,3′-dimethylbiphenyl-2,2′-diyl)bis(1H-pyrazole)

3'-methyl-2'-(1H-pyrazol-1-yl)biphenyl-4-carboxylic acid ethyl ester

1-(6-methyl-2-neopentylphenyl)-1H-pyrazole

4,5-diphenyl-9-methylpyrazolo[1,5-a]quinoline