7747-35-5

Basic information

• Product Name: 5-ETHYL-1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE
• Synonyms: 1-Aza-5-ethyl-3,7-dioxabicyclo[3.3.0]octane;3h,5h-oxazolo[3,4-c]oxazole,7a-ethyldihydro-1;3H,5H-Oxazolo[3,4-c]oxazole,7a-ethyldihydro-1H;5-ethyl-3,7-dioxa-1-azabicyclo[3.3.0]-octane;7a-ethyldihydro-1h,3h,5h-oxazolo{3,4-c}oxazole;oxazolidinee;5-ETHYL-1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE;1H,3H,5H-Oxazolo3,4-coxazole, 7a-ethyldihydro-
• CAS NO: 7747-35-5
• Molecular Formula: C₇H₁₃NO₂
• Molecular Weight: 143.18
• EINECS: 231-810-4
• Mol File: 7747-35-5.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 75 °C10 mm Hg(lit.)
• Flash Point: 175 °F
• Appearance: /
• Density: 1.083 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.382mmHg at 25°C
• Refractive Index: n20/D 1.461(lit.)
• PKA: 5.23±0.40(Predicted)
• BRN: 105946
• CAS DataBase Reference: 5-ETHYL-1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-ETHYL-1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE(7747-35-5)
• EPA Substance Registry System: 5-ETHYL-1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE(7747-35-5)

Safety Data

• 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
• RIDADR: NA 1993 / PGIII
• WGK Germany: 3
• Hazardous Substances Data: 7747-35-5(Hazardous Substances Data)

Usage

Description

5-ETHYL-1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE is an organic compound with a unique bicyclic structure, characterized by an ethyl group and two oxygen atoms forming a dioxane ring. It is a versatile molecule with potential applications in various industries due to its chemical properties.

Uses

Used in Chemical Industry:
5-ETHYL-1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE is used as a building block for the synthesis of various complex organic molecules, including pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure and functional groups make it a valuable intermediate in the development of new compounds with specific properties and applications.
Used in Pharmaceutical Industry:
5-ETHYL-1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE is used as a key intermediate in the development of new drugs, particularly those targeting specific biological receptors or enzymes. Its unique structure allows for the design of molecules with high selectivity and potency, making it a promising candidate for the treatment of various diseases and conditions.
Used in Agrochemical Industry:
5-ETHYL-1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE is used as a starting material for the synthesis of novel agrochemicals, such as pesticides and herbicides. Its unique structure and functional groups can be exploited to develop new molecules with improved efficacy, selectivity, and environmental safety.
Used in Material Science:
5-ETHYL-1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE can be used as a component in the development of new materials with specific properties, such as high thermal stability, chemical resistance, or mechanical strength. Its unique structure and functional groups can be incorporated into polymers, coatings, or composites to enhance their performance in various applications.
Note: The provided materials about Bioban CS 1246 and Bioban CS 1248 do not contain any information related to 5-ETHYL-1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE. Therefore, the description and uses of 5-ETHYL-1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE are based on its chemical structure and potential applications in various industries.

Flammability and Explosibility

Nonflammable

InChI:InChI=1/C7H13NO2/c1-2-7-3-9-5-8(7)6-10-4-7/h2-6H2,1H3

Synthetic route

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

Conditions	Yield
With benzene
In benzene Heating;
With benzene

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

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

1-aza-3,7-dioxabicyclo-5-ethyl[3.3.0]octane (7747-35-5) → C7H12NO2

Conditions	Yield
With benzophenone In acetonitrile Quantum yield; Further Variations:; Solvents; Irradiation;

1-aza-3,7-dioxabicyclo-5-ethyl[3.3.0]octane (7747-35-5) + Ac-RLSHPEW-OH → C45H65N13O12S

Conditions	Yield
With sodium cyanoborohydride In phosphate buffer at 35℃; for 48h; pH=7.5;

1-aza-3,7-dioxabicyclo-5-ethyl[3.3.0]octane (7747-35-5) + Ac-PGVKGEP-OH → C32H54N8O10 + C33H56N8O10 + C32H54N8O11

Conditions	Yield
With sodium cyanoborohydride In phosphate buffer at 35℃; for 48h; pH=7.5; Title compound not separated from byproducts.;

Upstream product

• 50-00-0 formaldehyd 
• 115-70-8 2-ethyl-2-amino-propane-1,3-diol 

Downstream Products

• 44865-14-7 2-dimethylamino-2-ethyl-propane-1,3-diol