6542-37-6

Basic information

• Product Name: 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE-5-METHANOL
• Synonyms: 1h,3h,5h-oxazolo(3,4-c)oxazole-7a(7h)-methanol;1H,3H,5H-Oxazolo[3,4-c]oxazole-7a(7H)-methanol;5-(hydroxymethyl)-1-aza-3,7-dioxabicyclo(3.3.0)octane;5-hydroxymethyl-1-aza-3,7-dioxabicyclo;bondingagentm3;gdue;m3(curingagent);oxazolidinet
• CAS NO: 6542-37-6
• Molecular Formula: C₆H₁₁NO₃
• Molecular Weight: 145.16
• EINECS: 229-457-6
• Product Categories: Polymer Additives;Polymer Science;Stabilizers
• Mol File: 6542-37-6.mol
• Article Data: 6

Chemical Properties

• Melting Point: 58 °C
• Boiling Point: 258°C at 760 mmHg
• Flash Point: >230 °F
• Appearance: /
• Density: 1.125 g/mL at 25 °C
• Vapor Pressure: 0.00208mmHg at 25°C
• Refractive Index: n20/D 1.424
• Storage Temp.: 2-8°C
• PKA: 15.22±0.10(Predicted)
• CAS DataBase Reference: 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE-5-METHANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE-5-METHANOL(6542-37-6)
• EPA Substance Registry System: 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE-5-METHANOL(6542-37-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• RTECS: RQ5833050
• Hazardous Substances Data: 6542-37-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C6H11NO3/c8-1-6-2-9-4-7(6)5-10-3-6/h8H,1-5H2

Upstream product

• 3970-21-6 2-Methoxyethoxymethyl chloride 
• 77-86-1 2-amino-2-hydroxymethyl-1,3-propanediol 
• 50-00-0 formaldehyd 
• 443308-54-1 (±)-(1,4-phenylenebis(oxazolidine-2,4,4-triyl))tetramethanol 
• 7732-18-5 water 
• 71-43-2 benzene 

Downstream Products

• 1112-24-9 2-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol 
• 870071-00-4 2-[((1s,5s)-3,7-dioxa-1-azabicyclo[3.3.0]oct-5-yl)methoxy]-pyrazine 
• 3149-28-8 2-methoxypyrazine 

Relevant articles and documents

3,7-Dioxa-1-azabicyclo[3.3.0]octanes substituted at the C-5 position - From local to global stereochemistry

Multiple approaches are described for the elucidation of the stereochemistry in solution (high-resolution NMR spectroscopy) and in the solid state (X-ray diffractometry) that are based on ab initio calculations (level RHF/6-31G*) of some representative 3,7-dioxa-1-azabicyclo[3.3.0]octanes. The results are presented in terms of conformational analysis, anomeric effects, chelating properties and aggregation phenomena. The significance of these findings with respect to diastereoselective synthesis is discussed. Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004.

Antimicrobial oxazolidine/iodopropynyl-butyl carbamate composition containing less than 0.1 wt%free formaldehyde

This invention relates to a broad spectrum antimicrobial composition, effective against gram negative and gram positive bacteria and fungi, which comprises a synergistic composition comprising iodopropynyl butyl carbamate and a bicyclic oxazolidine containing less than 0.1% of free formaldehyde.

Synthesis and stereochemistry of some 1,3-oxazolidine systems based on TRIS (α,α,α-trimethylolaminomethane) and related aminopolyols skeleton. Part 2: 1-Aza-3,7-dioxabicyclo[3.3,0]octanes

The reaction of TRIS with equivalent amounts of two carbonyl compounds is shown to afford, diastereoselectively, the title compounds. The results are discussed as a synthetic strategy and the stereochemistry is supported by theoretical calculations and high resolution NMR data.