2-Oxa-6-azaspiro[3.4]octane (1408075-00-2)

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Description

 2-Oxa-6-azaspiro[3.4]octane (1408075-00-2) video

It was studied the design and synthesis of novel azaspirocycle or azetidine substituted 4-anilinoquinazoline derivatives. The EGFR inhibitory activities and in vitro antitumor potency of these newly synthesized compounds against two lung cancer cell lines HCC827 and A549 were evaluated. Find out that most of the target compounds possess good inhibitory potency. In particular, compounds 21g with 2-oxa-6-azaspiro[3.4]octane substituent was found to possess higher EGFR inhibitory activities and similar antitumor potency comparing to the lead compound gefitinib with improved water solubility.

In addition, piperazine and morpholine are common modules in drugs. Design and synthesis of their surrogates may help to explore the chemical in medicinal chemistry.  Through [3+2] cycloaddition, the improved synthesis of 6-benzyl-2,6-diazaspiro[3.4]octane oxalate and 2-oxa-6-azaspiro[3.4]octane as substitutes of piperazine and morpholine was provided, respectively. Multi-gram quantities of the compounds could be easily obtained in relatively high yields.

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2-Oxa-6-azaspiro[3.4]octane (1408075-00-2) Specifications

CAS 1408075-00-2
CAS Min % 95.0
CAS Max % 97.0
MDL Number MFCD22123302
InChI Key ZHAIMJRKJKQNQI-UHFFFAOYSA-N
Chemical Name or Material 2-Oxa-6-azaspiro[3.4]octane
Infrared Spectrum N/A
Physical Form N/A
Packaging Standard packing
Molecular Formula C6H11NO
Molecular Weight (g/mol) 113.16 g/mol
SMILES C1CNCC12COC2
Color white
Melting Point N/A
Assay  ≥97%

2-Oxa-6-azaspiro[3.4]octane (1408075-00-2) Safety and Handling

2-Oxa-6-azaspiro[3.4]octane Hazard description:

w Causes skin irritation [Warning Skin corrosion/irritation]

w Causes serious eye irritation [Warning Serious eye damage/eye irritation]

w May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

(1408075-00-2) Precautionary statement:

w  Avoid breathing dust/fume/gas/mist/vapors/spray.

w  Wash … thoroughly after handling.

w  Use only outdoors or in a well-ventilated area.

w  Wear protective gloves/protective clothing/eye protection/face protection.

w  IF ON SKIN:Wash with plenty of water.

w  IF INHALED: Remove person to fresh air and keep comfortable for breathing.

w  IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing.

w  Call a POISON CENTER or doctor/… if you feel unwell.

w  Specific treatment (see … on this label).

w  IF SKIN irritation occurs:Get medical advice/attention.

w  If eye irritation persists:Get medical advice/attention.

w  Take off contaminated clothing.

w  Store in a well-ventilated place. Keep container tightly closed.

w  Store locked up.

w  Dispose of contents/container to …

WARNING: The information provided on this web site was developed in compliance with European Union (EU) regulations and is correct to the best of our knowledge, information and belief at the date of its publication. The information given is designed only as a guide for safe handling and use. It is not to be considered as either a warranty or quality specification.

Articles

Synthesis of azaspiro[3.4]octanes via [3+2] cycloadditionWang

Through [3+2] cycloaddition, the improved synthesis of 6-benzyl-2,6-diazaspiro[3.4]octane oxalate and 2-oxa-6-azaspiro[3.4]octane as substitutes of piperazine and morpholine was provided, respectively…

Chinese Journal of Organic Chemistry 2015.

Four-membered heterocycles-containing 4-anilino-quinazoline derivatives as epidermal growth factor receptor (EGFR) kinase inhibitors

In particular, compounds 21g with 2-oxa-6-azaspiro[3.4]octane substituent was found to possess higher EGFR inhibitory activities and similar antitumor potency comparing to the lead compound gefitinib with improved water solubility…

Bioorganic and Medicinal Chemistry Letters 2013.

2-Oxa-6-azaspiro[3.4]octane (1408075-00-2) Technical Service:

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

2-Oxa-6-azaspiro[3.4]octane (1408075-00-2) Bulk Ordering & Pricing:

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2 reviews for 2-Oxa-6-azaspiro[3.4]octane (1408075-00-2)

  1. APICMO

    We do lab scale to large-scale manufacture and synthesis of 2-Oxa-6-azaspiro[3.4]octane among other chemicals. At APICMO, our products conform to the CMGP manufacturing regulations.

    Chemical structure of 2-Oxa-6-azaspiro[3.4]octane ( 1408075-00-2)

    2-Oxa-6-azaspiro[3.4]octane (1408075-00-2)

    2-Oxa-6-azaspiro[3.4]octane ( 1408075-00-2) Product specification

    Synonyms · Hemioxalate salt
    · 2-oxa-6-azaspiro[3.4]octane
    · 2-oxa-7azaspiro[3.4]octane
    · 2-oxa-6-azaspiro[3.4]octa…
    Purity 95%
    Physical state Liquid
    Monoisotopic mass (g/mol) 113.084
    Molecular weight (g/mol 113.16
    Molecular formula C6H11NO
    Melting point (˚C) 140-149
    IUPAC name 2-oxa-7-azaspiro[3.4]octane
    Density (g/cm3) 1.08
    Chemical name 2-oxa-7-azaspiro[3.4]octane
    CAS no. 220290-68-6
    Boiling Point (˚C) 187

    2-Oxa-6-azaspiro[3.4]octane(1408075-00-2) Chemical and Physical Properties.

    Appearance

    It is a liquid with a colorless to pale yellow color.

    Bonding

    Covalent Bond 1 unit
    Hydrogen Bond Donor-1
    Acceptors-2
    Rotatable Bond 0 units

    Stability

    2-Oxa-6-azaspiro[3.4]octane is stable under recommended storage conditions. Decomposition will not occur if it is used and stored according to specifications. Decomposition products include Carbon monoxide, carbon dioxide, and Nitrogen Oxides.

    2-Oxa-6-azaspiro[3.4]octane ( 1408075-00-2) computed properties

    Property Name Property Value
    Isotope Atom Count 0
    Undefined Bond Stereocenter Unit 0
    Defined Bond Stereocenter Count 0
    Undefined Atom Stereocenter Count 0
    Defined Atom Stereocenter Count 0
    Heavy Atom Count 8
    Formal Charge 0
    Compound Is Canonilized True
    XlogP3-AA 0.3
    Exact Mass 113.084 g/mol
    Monoisotopic Mass 113.084 g/mol
    Topological Polar Surface Area 21.3A^2
    Complexity 98.7
    Rotatable Bond Count 0
    Molecular weight 113g/mol

    2-Oxa-6-azaspiro[3.4]octane ( 1408075-00-2) uses

    APICMO hazard icons

    It is involved in the preparation of aza-spirocycle or azetidine substituted 4-anilinoquinazoline derivatives, which exhibits epidermal growth factor receptor (EGFR) inhibitory activities. Also used for scientific development and research.

    Hazards associated with 2-Oxa-6-azaspiro[3.4]octane.

    • It may cause skin irritation when in direct contact with the skin.
    • It may cause respiratory irritation if inhaled. It irritates the upper respiratory tract.
    • It causes severe eye irritation.
    • May be harmful by ingestion.
    • It is a combustible liquid.

    Safety measures when dealing with 2-Oxa-6-azaspiro[3.4]octane

    1. Personal protection.

    Avoid direct skin contact by wearing chemical resistant clothing. Avoid direct eye contact too and wear protective gloves. Wear suitable respiratory equipment if handling 2-Oxa-6-azaspiro[3.4]octane in an area that is not well ventilated. You are recommended to use the following protective gear when using the chemical:

    • Synthetic apron.
    • Gloves
    • Splash goggles.
    • Vapour respirator (if needed).
    • Facemask
    • Impervious boots.

    2. 2-Oxa-6-azaspiro[3.4] octane engineering control.

    • if general ventilation is not sufficient to control the amount of air supply in the room,  you can use local exhaust ventilation.
    • Use non-sparking ventilation systems, approved explosion-proof electrical systems.
    • Have eyewash and safety shower in case of contact or splash.

    3. First aid measures.

    Skin Contact

    In case of any contact with the skin, carefully wash with a lot of running water and a gentle soap. You may use cold water.  Cover the affected area with an emollient. Seek medical attention. Wash any contaminated clothing before reuse.

    Eye Contact

    In case it splashes in your eyes, quickly get rid of contact lens if wearing any. With the eyes wide open, rinse the eyes with cold, clean water for at least 15 minutes. You can use cold water. If the burning and redness persist, seek the attention of a physician.

    Ingestion

    You should not induce vomiting. Give water to the victim to drink. Contact a physician.

    Inhalation

    Exposure to 2-Oxa-6-azaspiro[3.4]octane may irritate the upper respiratory tract whose symptoms are coughing, sneezing and nasal irritation. Get the victim outside or to somewhere with fresh air. If the victim’s breathing is difficult, administer oxygen. Seek medical attention.

    4.  When using 2-Oxa-6-azaspiro[3.4]octane

    While using it consider the following:

    • Avoid breathing the fume/ vapor/mist.
    • After contact with skin, wash immediately.
    • Ensure sufficient ventilation during use.
    • Wear protective clothing and chemical resistant boots.
    • Avoid prolonged exposure.
    • Use caution while handling.
    • Do not inhale dust or vapor.
    • Use only in a chemical fume hood.
    • Eating, drinking or smoking is prohibited while using this product.
    • Have a safety shower and eye wash available.

    5. After using 2-Oxa-6-azaspiro[3.4]octane

    • Wash hands thoroughly after handling.
    • Dispose of contents or containers by the regulations.
    • Keep it tightly sealed.

    6. When out of use

    • Store locked up.
    • Store in cool, dry conditions.
    • Store in the original shipping container or a well-marked container.
    • Keep in a well-ventilated place.

    7. 2.Oxa-6-azaspiro[3.4]octane storage and handling

    Storage

    • Store in a dry area that has sufficient ventilation, temperature controlled, out of direct sunlight.
    • Follow all applicable health and safety regulations.
    • Keep away from unauthorized personnel.
    • Do not store it near heat or sources of fire.
    • Store it locked up in a container.
    • Keep away from incompatible chemicals, combustible and flammable materials heat, sparks, open flames, hot surfaces or oxidizing agents.
    • Store in a place that has no direct sunlight.

    Handling

    While handling, it is Important to:

    • Avoid any heat and ignition sources such as sparks, hot surfaces, and static discharge.
    • Work in an open or well-ventilated room.
    • Wear protective clothing to minimize inhaling the fumes, or getting the chemical in contact with skin or eyes.
    • Use ventilation systems that do not spark, approved explosion-proof equipment and intrinsically safe electrical systems.
    • Prevent the formation of aerosols.
    • Work in a fume chamber.

    8. 2-Oxa-6-azaspiro[3.4]octane Accidental Measures.

    Fire control

    The suitable extinguishing agents include: Carbon dioxide, extinguishing powder and water spray. If you are fighting more massive fires, use water spray or alcohol-resistant foam. Advice for firefighters:

    • Wear a self-contained respirator.
    • Wear a fully protective impervious suit.

    Spillages

    Avoid coming into contact with any leaked material. You can stop any further leak if it does not harm you. Contain the spill with the liquid binding material (sand, diatomite, sawdust). Deposit the absorbent used in a container that is well labeled ready for disposal. Flush spill area. For large spills that you may not be able to contain you could either contact the supplier or emergency services.

    9. Sensitivity and Reactivity.

    2-Oxa-6-azaspiro[3.4]octane reacts with strong oxidizing agents, strong acids, reducing agents and bases.  It decomposes under high temperatures producing Carbon monoxide, Carbon dioxide, and Nitrogen Oxides.

    10.Chemical Disposal.

    You should treat 2-Oxa-6-azaspiro[3.4]octane as special waste under adherence to official regulations. It must, therefore, be managed, handled and disposed of carefully in a manner that complies with the area, federal or state regulations.

    11. 2-Oxa-6-azaspiro[3.4]octane ( 1408075-00-2) Shipping Info

    2-Oxa-6-azaspiro[3.4] octane is safe for either ground or air transportation.

    Regulatory Info

    2-Oxa-6-azaspiro[3.4]octane conforms to all local, federal and state laws.

    2-Oxa-6-azaspiro[3.4]octane ( 1408075-00-2) Bulk ordering and pricing.

    Are you interested in a small amount or bulk buying? Get in touch with us. At APICMO, we assure you of satisfactory quality and competitive price.

    Bibliography

    1. Ring Systems Handbook, Volume 1, American Chemical Society. Chemical Abstracts Service, American Chemical Society,2003, the University of California page 470-474
    2. Reactions and syntheses: -In the Organic Chemistry Laboratory, Lutz F. Tietze, TheophilEicher, Ulf  Diederichsen, Nina Schutzenmeister, Andreas Speicher, Page 258-270.
    3. Intermediate Chemistry, Third Edition, Ann M. Fabirkiewicz, John C. Stowell, Page 25-30

  2. Rated 5 out of 5

    Apicmo

    The best 2-Oxa-6-azaspiro[3.4]octane and service i have ever had,Nice experience

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