5-(p-Methoxy-alpha-phenylphenethyl)-1,3,4-oxadiazole-2-thiol

Base Information

• Chemical Name: 5-(p-Methoxy-alpha-phenylphenethyl)-1,3,4-oxadiazole-2-thiol
• CAS No.: 78613-13-5
• Molecular Formula: C₁₇H₁₆N₂O₂S
• Molecular Weight: 312.392
• DSSTox Substance ID: DTXSID90999898
• Nikkaji Number: J64.538I

Synonyms:5-(p-Methoxy-alpha-phenylphenethyl)-1,3,4-oxadiazole-2-thiol;1,3,4-OXADIAZOLE-2-THIOL, 5-(p-METHOXY-alpha-PHENYLPHENETHYL)-;78613-13-5;DTXSID90999898;LS-99180;5-[2-(4-Methoxyphenyl)-1-phenylethyl]-1,3,4-oxadiazole-2-thiol

Chemical Property of 5-(p-Methoxy-alpha-phenylphenethyl)-1,3,4-oxadiazole-2-thiol

Chemical Property:

• Vapor Pressure: 2.66E-07mmHg at 25°C
• Boiling Point: 421.2°C at 760 mmHg
• Flash Point: 208.5°C
• Density: 1.24g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 312.09324893
• Heavy Atom Count: 22
• Complexity: 413

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CC(C2=CC=CC=C2)C3=NNC(=S)O3

Technology Process of 5-(p-Methoxy-alpha-phenylphenethyl)-1,3,4-oxadiazole-2-thiol

There total 1 articles about 5-(p-Methoxy-alpha-phenylphenethyl)-1,3,4-oxadiazole-2-thiol 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:

carbon disulfide (75-15-0,12122-00-8) + 3-(4-methoxy-phenyl)-2-phenyl-propionic acid hydrazide (58973-44-7) → 5-[2-(4-Methoxy-phenyl)-1-phenyl-ethyl]-3H-[1,3,4]oxadiazole-2-thione (78613-13-5)

Guidance literature:

With potassium hydroxide; In ethanol; Heating;

Reference yield:

ethyl bromoacetate (105-36-2) + 5-[2-(4-Methoxy-phenyl)-1-phenyl-ethyl]-3H-[1,3,4]oxadiazole-2-thione (78613-13-5) → {5-[2-(4-Methoxy-phenyl)-1-phenyl-ethyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetic acid ethyl ester (78613-19-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 4h; Heating;

Reference yield:

chloroacetic acid (79-11-8) + 5-[2-(4-Methoxy-phenyl)-1-phenyl-ethyl]-3H-[1,3,4]oxadiazole-2-thione (78613-13-5) → {5-[2-(4-Methoxy-phenyl)-1-phenyl-ethyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetic acid (78613-18-0)

Guidance literature:

With sodium hydroxide; sodium hydrogencarbonate; In water; N,N-dimethyl-formamide; Heating;

upstream raw materials:

carbon disulfide

3-(4-methoxy-phenyl)-2-phenyl-propionic acid hydrazide

Downstream raw materials:

{5-[2-(4-Methoxy-phenyl)-1-phenyl-ethyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetic acid ethyl ester

{5-[2-(4-Methoxy-phenyl)-1-phenyl-ethyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetic acid

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