3-Methyl-5-phenyl-1H-pyrazole

Base Information

• Chemical Name: 3-Methyl-5-phenyl-1H-pyrazole
• CAS No.: 3347-62-4
• Molecular Formula: C10H10 N2
• Molecular Weight: 158.203
• Hs Code.: 2933199090
• European Community (EC) Number: 222-099-1
• NSC Number: 78454
• UNII: 0XFX19D77A
• DSSTox Substance ID: DTXSID90187117
• Nikkaji Number: J53.897C,J337.254E
• Wikidata: Q27231228
• ChEMBL ID: CHEMBL1411986
• Mol file: 3347-62-4.mol

Synonyms:3-Methyl-5-phenyl-1H-pyrazole;3347-62-4;5-methyl-3-phenyl-1H-pyrazole;Femerazol;3-Methyl-5-phenylpyrazole;Phemerazole;1H-Pyrazole, 3-methyl-5-phenyl-;5-Methyl-3-phenylpyrazole;PYRAZOLE, 3-METHYL-5-PHENYL-;1H-Pyrazole,3-methyl-5-phenyl-;Pyrazole, 3(or 5)-methyl-5(or 3)-phenyl-;EINECS 222-099-1;NSC 78454;3-phenyl-5-methylpyrazole;BRN 0004208;UNII-0XFX19D77A;0XFX19D77A;MFCD00022385;NSC-78454;4-23-00-01261 (Beilstein Handbook Reference);1H-pyrazole, 5-methyl-3-phenyl-;4bdf;NSC78454;Enamine_001202;Cambridge id 5152650;WLN: T5MNJ C1 ER;MLS001004744;SCHEMBL427627;3-Phenyl-5-methyl-1H-pyrazole;CHEMBL1411986;DTXSID90187117;HMS1397G14;HMS1579I12;HMS2678O21;3(5)-methyl-5(3)-phenylpyrazole;3-Methyl-5-phenyl-1H-pyrazole #;AMY33167;BBL100176;MFCD00524752;STK029816;AKOS001016705;AKOS001579572;9M-508S;AB01314;NCGC00246020-01;MS-10996;SMR000348327;LS-128538;CS-0153138;EU-0067663;FT-0634791;EN300-96520;A918417;SR-01000395604;SR-01000395604-1;Q27231228;Z56791141;H3R

Chemical Property of 3-Methyl-5-phenyl-1H-pyrazole

Chemical Property:

• Vapor Pressure: 0.000258mmHg at 25°C
• Melting Point: 126-127°C
• Boiling Point: 333.9°Cat760mmHg
• PKA: 14.08±0.10(Predicted)
• Flash Point: 156.2°C
• PSA: 28.68000
• Density: 1.109g/cm³
• LogP: 2.38510
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl-3-phenyl-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: Xi:刺激性物质

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=NN1)C2=CC=CC=C2

Technology Process of 3-Methyl-5-phenyl-1H-pyrazole

There total 33 articles about 3-Methyl-5-phenyl-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%

1-Phenylbut-1-en-3-one (122-57-6) → 5-methyl-3-phenyl-1H-pyrazole (3347-62-4)

Guidance literature:

With tetrabutylammomium bromide; toluene-4-sulfonic acid hydrazide; sodium hydroxide; In water; at 80 ℃; for 10h; Air atmosphere;

DOI:10.1016/j.tet.2011.09.074

Reference yield: 88.0%

4-phenylbut-3-en-2-one p-tosylhydrazone (17336-65-1) → 5-methyl-3-phenyl-1H-pyrazole (3347-62-4)

Guidance literature:

With sodium hydroxide; at 100 ℃; for 4h; Microwave irradiation; Inert atmosphere;

DOI:10.1002/ejoc.202000066

Reference yield: 82.0%

(E)-benzalacetone (1896-62-4) → 5-methyl-3-phenyl-1H-pyrazole (3347-62-4)

Guidance literature:

With tetrabutylammomium bromide; toluene-4-sulfonic acid hydrazide; sodium hydroxide; In water; at 80 ℃; for 10h;

DOI:10.1021/acs.organomet.1c00032

upstream raw materials:

morpholine

anhydro-2,5-diphenyl-1-hydroxy-7-methyl-3-oxopyrazolo<1,2-a>pyrazolium hydroxide

1-amino-5-methyl-3-phenylpyrazole

acetone 3-imino-1-methyl-phenylprop-1-enylhydrazone

Downstream raw materials:

4-bromo-3-methyl-5-phenyl-1H-pyrazole

(6aR,9S,10aR)-7-Methyl-9-(5-methyl-3-phenyl-pyrazol-1-ylmethyl)-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline

naphthalene

1-phenyl-1-butyne