5,6-Dihydro-4H-cyclopenta[c]isoxazol-3-amine

Base Information

• Chemical Name: 5,6-Dihydro-4H-cyclopenta[c]isoxazol-3-amine
• CAS No.: 698975-77-8
• Molecular Formula: C₆H₈N₂O
• Molecular Weight: 124.142
• European Community (EC) Number: 864-837-0
• DSSTox Substance ID: DTXSID40406108
• Wikidata: Q82210995
• ChEMBL ID: CHEMBL369077
• Mol file: 698975-77-8.mol

Synonyms:5,6-Dihydro-4H-cyclopenta[c]isoxazol-3-amine;698975-77-8;5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-amine;4H,5H,6H-cyclopenta[c][1,2]oxazol-3-amine;CHEMBL369077;SCHEMBL5929498;DTXSID40406108;WGCKCMXHIWUORN-UHFFFAOYSA-N;STL227862;AKOS000276221;5,6-dihydro-4H-cyclopenta[c]isoxazole-3-amine;EN300-202869;5,6-Dihydro-4H-cyclopenta[c]isoxazol-3-ylamine;F3379-0307;Z431947172

Chemical Property of 5,6-Dihydro-4H-cyclopenta[c]isoxazol-3-amine

Chemical Property:

• PSA: 52.05000
• LogP: 1.32670
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 124.063662883
• Heavy Atom Count: 9
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(ON=C2C1)N
• Uses: 5,6-Dihydro-4H-cyclopent[c]isoxazol-3-amine is a bactericide.

Technology Process of 5,6-Dihydro-4H-cyclopenta[c]isoxazol-3-amine

There total 3 articles about 5,6-Dihydro-4H-cyclopenta[c]isoxazol-3-amine 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: 82.0%

2-amino-1-cyanocyclopentene (2941-23-3) → 5,6-dihydro-4H-cyclopenta[c]isoxazol-3-ylamine (698975-77-8)

Guidance literature:

2-amino-1-cyanocyclopentene; With hydroxylamine hydrochloride; In ethanol; for 1h; Heating / reflux;

With sodium hydroxide; In ethanol; water; isopropyl alcohol; at 20 - 60 ℃; for 0.5h;

Reference yield: 80.0%

Oxim von 2-Cyan-cyclopentanon (42009-81-4) → 5,6-dihydro-4H-cyclopenta[c]isoxazol-3-ylamine (698975-77-8)

Guidance literature:

With sodium hydroxide; In isopropyl alcohol; at 60 ℃;

DOI:10.1016/j.bmcl.2004.11.036

Reference yield:

hexanedinitrile (111-69-3) → 5,6-dihydro-4H-cyclopenta[c]isoxazol-3-ylamine (698975-77-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 60 percent / NaH / toluene

2: 20 percent / H₂NOH / ethanol / 78 °C

3: 80 percent / aq. NaOH / propan-2-ol / 60 °C

With sodium hydroxide; hydroxylamine; sodium hydride; In ethanol; isopropyl alcohol; toluene;

DOI:10.1016/j.bmcl.2004.11.036

upstream raw materials:

Oxim von 2-Cyan-cyclopentanon

hexanedinitrile

2-amino-1-cyanocyclopentene

Refernces

• 1、 -. "2-OXYAMINO-1-CYCLOPENTENE-1-NITRILES AS MATERIAL PROTECTIVE AGENTS". Page/Page column 32-33. . Retrieved 2008/06/13.