Methyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate

Base Information

• Chemical Name: Methyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
• CAS No.: 201050-72-8
• Molecular Formula: C₁₁H₁₀N₂O₃
• Molecular Weight: 218.212
• DSSTox Substance ID: DTXSID50571275
• Wikidata: Q82459313
• Mol file: 201050-72-8.mol

Synonyms:methyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate;201050-72-8;Benzoic acid, 4-(5-methyl-1,3,4-oxadiazol-2-yl)-, methyl ester;SCHEMBL69515;DTXSID50571275;VDLCZLXZHGXCKE-UHFFFAOYSA-N;A903351;4-(5-methyl-[1,3,4]oxadiazol-2-yl)-benzoic acid methyl ester

Chemical Property of Methyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate

Chemical Property:

• PSA: 65.22000
• LogP: 1.83160
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 218.06914219
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C(O1)C2=CC=C(C=C2)C(=O)OC

Technology Process of Methyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate

There total 1 articles about Methyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate 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:

Monomethyl terephthalate (1679-64-7) → methyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate (201050-72-8)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C

2: p-toluenesulfonyl chloride; triethylamine / dichloromethane / 0 - 20 °C

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; p-toluenesulfonyl chloride; In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

methyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate (201050-72-8) → C17H13N3O4

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic acid / 48 h / Reflux; Inert atmosphere

1.2: 24 h / 20 °C

2.1: sodium hydroxide / water / 2.5 h / Reflux

With acetic acid; sodium hydroxide; In water;

DOI:10.1021/acs.inorgchem.6b00530

Reference yield:

methyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate (201050-72-8) → 2C17H11N3O4(2-)*2Co(2+)

Guidance literature:

Multi-step reaction with 3 steps

1.1: acetic acid / 48 h / Reflux; Inert atmosphere

1.2: 24 h / 20 °C

2.1: sodium hydroxide / water / 2.5 h / Reflux

3.1: ethanol; N,N-dimethyl-formamide / 48 h / Reflux

With acetic acid; sodium hydroxide; In ethanol; water; N,N-dimethyl-formamide;

DOI:10.1021/acs.inorgchem.6b00530

upstream raw materials:

Monomethyl terephthalate

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 201050-72-8 METHYL 4-(5-METHYL-1,3,4-OXADIAZOL-2-YL)BENZOATE

Send

Send

Metric Ton KG G Pound L ML

Send

Send