1-Methylpyrazole

Base Information

• Chemical Name: 1-Methylpyrazole
• CAS No.: 930-36-9
• Molecular Formula: C4H6N2
• Molecular Weight: 82.105
• Hs Code.: 29331990
• European Community (EC) Number: 618-896-2
• DSSTox Substance ID: DTXSID40239231
• Nikkaji Number: J45.699C
• Wikidata: Q27126402
• Metabolomics Workbench ID: 60355
• Mol file: 930-36-9.mol

Synonyms:1-Methylpyrazole;930-36-9;1-Methyl-1H-pyrazole;N-Methylpyrazole;1-Methypyrazole;1H-Pyrazole, 1-methyl-;Pyrazole, 1-methyl-;1-methyl pyrazole;n-methyl pyrazole;1-methyl-pyrazole;1-Methyl-1H-pyrazole #;CHEBI:59025;DTXSID40239231;BCP23265;MFCD00144943;STK503164;1-Methylpyrazole, >=99.0% (GC);AKOS002657038;AC-4832;CS-W023191;MS-1808;PB33818;AM20120336;FT-0608092;M0969;EN300-36197;Q-101211;Q27126402;F2169-0979;Z336081430

Chemical Property of 1-Methylpyrazole

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 13.8mmHg at 25°C
• Melting Point: 36.5°C (estimate)
• Refractive Index: n20/D 1.477
• Boiling Point: 126.999 °C at 760 mmHg
• PKA: 2.25±0.10(Predicted)
• Flash Point: 26.222 °C
• PSA: 17.82000
• Density: 0.996 g/cm³
• LogP: 0.42010
• Storage Temp.: Flammables area
• Water Solubility.: Soluble in water
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 82.053098200
• Heavy Atom Count: 6
• Complexity: 44.8

Purity/Quality:

98.0% min ^*data from raw suppliers

1-Methylpyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 26-37/39-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyrazoles
• Canonical SMILES: CN1C=CC=N1

Technology Process of 1-Methylpyrazole

There total 25 articles about 1-Methylpyrazole 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: 90.0%

NH-pyrazole (288-13-1) + methyl iodide (74-88-4) → 1-methyl-1H-pyrazole (930-36-9)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; at 0 ℃; for 6h;

Reference yield: 81.0%

1-methyl-1H-pyrazole-5-carboxylic acid (16034-46-1) → 1-methyl-1H-pyrazole (930-36-9)

Guidance literature:

In neat (no solvent); at 235 - 250 ℃;

DOI:10.1007/BF00842842

Reference yield: 69.0%

NH-pyrazole (288-13-1) + carbonic acid dimethyl ester (616-38-6) → 1-methyl-1H-pyrazole (930-36-9)

Guidance literature:

at 140 ℃; for 8h; atmospheric pressure;

DOI:10.1080/00397910500278578

upstream raw materials:

NH-pyrazole

methyl iodide

4-bromo-1-methyl-1H-pyrazole

n-butyllithium

Downstream raw materials:

1-methyl-1H-pyrazole-4-carbonitrile

1-Methylpyrazole-5-carboxylic acid nitrile

1-methyl-5-(1'-hydroxy-1'phenylmethyl)pyrazole

(1-methyl-1H-pyrazol-5-yl)boronic acid

Refernces

• 1、 Li, Weipeng,Yuan, Dandan,Wang, Guoqiang,Zhao, Yue,Xie, Jin,Li, Shuhua,Zhu, Chengjian. "Cooperative Au/Ag Dual-Catalyzed Cross-Dehydrogenative Biaryl Coupling: Reaction Development and Mechanistic Insight". supporting information. p. 3187 - 3197. Retrieved 2019/02/19.
• 2、 Kara, Belguzar Yasemin,Yazici, Melike,Kilbas, Benan,Goksu, Haydar. "A practical and highly efficient reductive dehalogenation of aryl halides using heterogeneous Pd/AlO(OH) nanoparticles and sodium borohydride". . p. 5898 - 5902. Retrieved 2016/09/07.