Ethyl 3-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thio)propanoate

Base Information

• Chemical Name: Ethyl 3-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thio)propanoate
• CAS No.: 61560-09-6
• Molecular Formula: C14H16N2O3S
• Molecular Weight: 292.3534
• DSSTox Substance ID: DTXSID60210567
• Wikidata: Q83085320

Synonyms:Ethyl 3-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thio)propanoate;61560-09-6;Propanoic acid, 3-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thio)-, ethyl ester;Ethyl 3-(S-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionate;SCHEMBL11625033;DTXSID60210567;LS-121590

Chemical Property of Ethyl 3-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thio)propanoate

Chemical Property:

• Vapor Pressure: 6.27E-08mmHg at 25°C
• Boiling Point: 439.7°C at 760 mmHg
• Flash Point: 219.7°C
• PSA: 90.52000
• Density: 1.216g/cm³
• LogP: 2.92300
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 292.08816355
• Heavy Atom Count: 20
• Complexity: 298

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCSCC1=NC(=NO1)C2=CC=CC=C2

Technology Process of Ethyl 3-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thio)propanoate

There total 1 articles about Ethyl 3-(((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thio)propanoate 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:

→ ethyl 3-[S-(3-phenyl-1,2,4-oxadiazol-5-yl)-methyl]-thiopropionate (61560-09-6)

Guidance literature:

aus NaOEt,3-Thiopropionsaeure-ethylester u. 5-Chlormethyl-3-phenyl-1,2,4- oxadiazol;

Reference yield:

ethyl 3-[S-(3-phenyl-1,2,4-oxadiazol-5-yl)-methyl]-thiopropionate (61560-09-6) → 3-[S-(3-phenyl-1,2,4-oxadiazol-5-yl)-methyl]-thiopropionic acid (61560-10-9)

Guidance literature:

With hydrogenchloride; In sodium hydroxide; water;

Downstream raw materials:

3-[S-(3-phenyl-1,2,4-oxadiazol-5-yl)-methyl]-thiopropionic acid

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