2-Methyl-5-(4-methylphenyl)-1,3,4-oxadiazole

Base Information

• Chemical Name: 2-Methyl-5-(4-methylphenyl)-1,3,4-oxadiazole
• CAS No.: 25877-53-6
• Molecular Formula: C10H10 N2 O
• Molecular Weight: 174.202
• NSC Number: 137997
• DSSTox Substance ID: DTXSID90948760
• Nikkaji Number: J599.126I
• Wikidata: Q82926584
• Mol file: 25877-53-6.mol

Synonyms:2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;25877-53-6;2-(4-Methylphenyl)-5-methyl-1,3,4-oxadiazole;2-Methyl-5-(p-tolyl)-1,3,4-oxadiazole;NSC137997;SCHEMBL739207;DTXSID90948760;MFCD00482959;STL480667;AKOS002238936;AS-9739;CCG-326887;NSC-137997;2-Methyl-5-p-tolyl-[1,3,4]oxadiazole;BB 0238213;Y11310

Chemical Property of 2-Methyl-5-(4-methylphenyl)-1,3,4-oxadiazole

Chemical Property:

• Vapor Pressure: 0.00303mmHg at 25°C
• Boiling Point: 293.4°Cat760mmHg
• Flash Point: 130.2°C
• Density: 1.113g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NN=C(O2)C

Technology Process of 2-Methyl-5-(4-methylphenyl)-1,3,4-oxadiazole

There total 11 articles about 2-Methyl-5-(4-methylphenyl)-1,3,4-oxadiazole 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: 87.0%

5-(p-tolyl)-1H-tetrazole (24994-04-5) + acetic anhydride (108-24-7) → 2-(4-methylphenyl)-5-methyl-1,3,4-oxadiazole (25877-53-6)

Guidance literature:

In N,N-dimethyl-formamide; at 220 ℃; for 0.0833333h; Microwave irradiation; Sealed vial;

DOI:10.1016/j.tetlet.2011.12.043

Reference yield: 84.0%

N,N-dimethyl acetamide (127-19-5,116057-81-9) + p-toluic hydrazide (3619-22-5) → 2-(4-methylphenyl)-5-methyl-1,3,4-oxadiazole (25877-53-6)

Guidance literature:

With titanium tetrachloride; at 110 ℃; for 1.5h;

DOI:10.1080/00397911.2019.1700521

Reference yield: 80.0%

4-Methyl-benzaldehyd- (59670-16-5) → 2-(4-methylphenyl)-5-methyl-1,3,4-oxadiazole (25877-53-6)

Guidance literature:

With 2,4,6-tris[(4-dichloroiodo)phenoxy]-1,3,5-triazine; In dichloromethane; at 20 ℃;

DOI:10.1055/s-0033-1339495

upstream raw materials:

acetyl chloride

p-toluic hydrazide

3-acetyl-5-(4-methoxy-phenyl)-3H-[1,2,3,4]oxathiadiazole 2-oxide

5-methyl-1,2,3,4-tetrazole

Downstream raw materials:

4-(5-p-Tolyl-[1,3,4]oxadiazol-2-yl)-butan-2-one

(4aR,8aS)-3-p-Tolyl-5,6,7,8,8a,9-hexahydro-4aH-[1,2,4]triazolo[4,3-a]indole

(4aR,8aR)-3-p-Tolyl-5,6,7,8,8a,9-hexahydro-4aH-[1,2,4]triazolo[4,3-a]indole

2-(5-p-Tolyl-[1,3,4]oxadiazol-2-ylmethyl)-cyclohexanone

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