1-Pyrrolidinecarboxamide, N-butyl-

Base Information

• Chemical Name: 1-Pyrrolidinecarboxamide, N-butyl-
• CAS No.: 1461-78-5
• Molecular Formula: C9H18N2O
• Molecular Weight: 170.255
• DSSTox Substance ID: DTXSID10472779
• Wikidata: Q82301918
• Mol file: 1461-78-5.mol

Synonyms:1-Pyrrolidinecarboxamide, N-butyl-;1461-78-5;butylaminocarbonylpyrrolidine;SCHEMBL4732560;DTXSID10472779

Chemical Property of 1-Pyrrolidinecarboxamide, N-butyl-

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 170.141913202
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=O)N1CCCC1

Technology Process of 1-Pyrrolidinecarboxamide, N-butyl-

There total 3 articles about 1-Pyrrolidinecarboxamide, N-butyl- 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: 84.0%

pyrrolidine (123-75-1) + 2-(benzylsulfonyl)-6-butyl-6,7-dihydro[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one (643755-01-5) → N-butylpyrrolidine-1-carboxamide (1461-78-5) + 3-(benzylsulfonyl)-5-{[(pyrrolidin-1-yl)methylidene]amino}-1H-[1,2,4]triazole

Guidance literature:

In 1,4-dioxane; at 20 ℃;

DOI:10.1002/hlca.200390261

Reference yield: 67.0%

pyrrolidine (123-75-1) + 2-(benzylsulfanyl)-6-butyl-6,7-dihydro[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one (643754-98-7) → N-butylpyrrolidine-1-carboxamide (1461-78-5) + 5-(benzylsulfanyl)-5-{[(pyrrolidin-1-yl)methylidene]amino}-1H-[1,2,4]triazole + 3-(benzylsulfanyl)-N-butyl-5-{[(pyrrolidin-1-yl)methylidene]amino}-1H-[1,2,4]triazole-1-carboxamide

Guidance literature:

In 1,4-dioxane; at 20 ℃;

DOI:10.1002/hlca.200390261

Reference yield:

pyrrolidine (123-75-1) + carbon dioxide (124-38-9,18923-20-1) + N-butylamine (109-73-9,85404-21-3) → N-butylpyrrolidine-1-carboxamide (1461-78-5) + N,N'-di-n-butylurea (1792-17-2)

Guidance literature:

at 180 ℃; for 24h; under 75007.5 Torr; Autoclave;

DOI:10.1039/c0gc00059k

upstream raw materials:

pyrrolidine

2-(benzylsulfanyl)-6-butyl-6,7-dihydro[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one

2-(benzylsulfonyl)-6-butyl-6,7-dihydro[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one

carbon dioxide

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