5-ETHYL-1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE

Base Information

• Chemical Name: 5-ETHYL-1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE
• CAS No.: 7747-35-5
• Deprecated CAS: 101707-05-5
• Molecular Formula: C7H13 N O2
• Molecular Weight: 143.186
• European Community (EC) Number: 231-810-4
• UNII: 20E75SVO7A
• DSSTox Substance ID: DTXSID3029289
• Nikkaji Number: J326.543I
• Wikidata: Q27253457
• ChEMBL ID: CHEMBL3183106
• Mol file: 7747-35-5.mol

Synonyms:5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane;7a-Ethyldihydro-1H,3H,5H-oxazolo[3,4-c]oxazole; Amine CS 1246; Bioban CS 1246;CS 1246; Canguard 96; Chemtan A 60; Neosyn TX; Oxaban E; Oxazolidine E; ParamelTX 50; Zoldine ZE

Chemical Property of 5-ETHYL-1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE

Chemical Property:

• Vapor Pressure: 0.382mmHg at 25°C
• Refractive Index: n20/D 1.461(lit.)
• Boiling Point: 75 °C10 mm Hg(lit.)
• PKA: 5.23±0.40(Predicted)
• Flash Point: 175 °F
• PSA: 21.70000
• Density: 1.083 g/mL at 25 °C(lit.)
• LogP: 0.35050
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 143.094628657
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

99.9% ^*data from raw suppliers

5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 21/22-36/37/38-43-52/53-41-38-20
• Safety Statements: 26-36/37/39-61-39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC12COCN1COC2
• Description: Bioban CS 1246 is a relatively old formaldehyde releaser, used in cutting oils. Bioban CS 1248 is a mixture of Bioban CS-1246 and Bioban P-1487.

Technology Process of 5-ETHYL-1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE

There total 1 articles about 5-ETHYL-1-AZA-3,7-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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-ethyl-2-amino-propane-1,3-diol (115-70-8) → 5-ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane (7747-35-5)

Guidance literature:

With benzene;

Reference yield:

5-ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane (7747-35-5) → 2-dimethylamino-2-ethyl-propane-1,3-diol (44865-14-7)

Guidance literature:

With methanol; nickel; at 100 ℃; under 51485.6 Torr; Hydrogenation;

upstream raw materials:

formaldehyd

2-ethyl-2-amino-propane-1,3-diol

Downstream raw materials:

2-dimethylamino-2-ethyl-propane-1,3-diol