5-(Pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol

Base Information

• Chemical Name: 5-(Pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol
• CAS No.: 790263-69-3
• Molecular Formula: C₇H₁₁N₃OS
• Molecular Weight: 185.25
• European Community (EC) Number: 899-768-5
• Mol file: 790263-69-3.mol

Synonyms:5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol;790263-69-3;5-(Pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2(3H)-thione;5-(pyrrolidin-1-ylmethyl)-3H-1,3,4-oxadiazole-2-thione;SCHEMBL22528876;HMS1789D01;AKOS023553125;EN300-09367;Z56346938;5-[(pyrrolidin-1-yl)methyl]-1,3,4-oxadiazole-2-thiol

Chemical Property of 5-(Pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 185.06228316
• Heavy Atom Count: 12
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

5-(Pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2(3H)-thione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCN(C1)CC2=NNC(=S)O2

Technology Process of 5-(Pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol

There total 2 articles about 5-(Pyrrolidin-1-ylmethyl)-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) + 2-(pyrrolidin-1-yl)acetyl hydrazine (7171-96-2) → 5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2(3H)-thione (790263-69-3)

Guidance literature:

With potassium hydroxide; In ethanol; for 12h; Reflux;

Reference yield:

methyl 2-(pyrrolidin-1-yl)acetate (22041-18-5) → 5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2(3H)-thione (790263-69-3)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate / methanol / Reflux

2: potassium hydroxide / ethanol / 12 h / Reflux

With hydrazine hydrate; potassium hydroxide; In methanol; ethanol;

upstream raw materials:

carbon disulfide

2-(pyrrolidin-1-yl)acetyl hydrazine

methyl 2-(pyrrolidin-1-yl)acetate

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