1-Aza-4,6-dioxabicyclo(3.3.0)octane

Base Information

• Chemical Name: 1-Aza-4,6-dioxabicyclo(3.3.0)octane
• CAS No.: 5780-34-7
• Molecular Formula: C5H9NO2
• Molecular Weight: 115.132
• European Community (EC) Number: 227-305-3
• NSC Number: 117333
• UNII: A44C4LP5LY
• DSSTox Substance ID: DTXSID70206496
• Nikkaji Number: J218.043J
• Wikidata: Q83080312

Synonyms:1-Aza-4,6-dioxabicyclo(3.3.0)octane;5780-34-7;EINECS 227-305-3;A44C4LP5LY;7aH-Oxazolo(2,3-b)oxazole, tetrahydro-;Tetrahydrooxazolo[2,3-b]oxazole;1-AZA-4,6-DIOXABICYCLO[3.3.0]OCTANE;NSC-117333;tetrahydro[1,3]oxazolo[2,3-b][1,3]oxazole;NSC117333;UNII-A44C4LP5LY;SCHEMBL727369;DTXSID70206496;AKOS006273190;NSC 117333;TETRAHYDRO-7AH-OXAZOLO(2,3-B)OXAZOLE;tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole;4,6-DIOXA-1-AZABICYCLO(3.3.0)OCTANE;EN300-7587505;TETRAHYDRO-2H-[1,3]OXAZOLO[2,3-B][1,3]OXAZOLE

Chemical Property of 1-Aza-4,6-dioxabicyclo(3.3.0)octane

Chemical Property:

• Vapor Pressure: 2.32mmHg at 25°C
• Boiling Point: 161°Cat760mmHg
• Flash Point: 77.1°C
• Density: 1.22g/cm³
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 115.063328530
• Heavy Atom Count: 8
• Complexity: 86.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1COC2N1CCO2

Technology Process of 1-Aza-4,6-dioxabicyclo(3.3.0)octane

There total 2 articles about 1-Aza-4,6-dioxabicyclo(3.3.0)octane 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: 80.9%

N,N-dimethyl-formamide dimethyl acetal (4637-24-5) + 2,2'-iminobis[ethanol] (111-42-2) → tetrahydro[1,3]oxazolo[2,3-b][1,3]oxazole (5780-34-7)

Guidance literature:

DOI:10.1139/v03-204

Reference yield:

→ tetrahydro[1,3]oxazolo[2,3-b][1,3]oxazole (5780-34-7)

Guidance literature:

1,1-Dimethoxy-trimethylamin, Diaethanolamin, Bzl., Erh.;

Reference yield: 96.7%

tetrahydro[1,3]oxazolo[2,3-b][1,3]oxazole (5780-34-7) + para-bromophenacyl bromide (99-73-0,132309-76-3) → 4-[2-(4-bromophenyl)-2-oxoethyl]tetrahydro[1,3]oxazolo[2,3-b][1,3]oxazol-4-ium bromide (1448802-39-8)

Guidance literature:

In dichloromethane; for 3h; Reflux;

upstream raw materials:

N,N-dimethyl-formamide dimethyl acetal

2,2'-iminobis[ethanol]

Downstream raw materials:

benzaldehyde

2-[Benzhydryl-(2-hydroxy-ethyl)-amino]-ethanol

thiophene-2-carbaldehyde

phenylacetaldehyde

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