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8-Oxa-3-azabicyclo[3.2.1]octane, also known as oxabicyclooctane or OBO, is a bicyclic organic compound characterized by the presence of a heterocyclic oxygen and nitrogen atom. It is a colorless liquid with a pleasant odor, and is widely recognized for its role as a fundamental building block in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. The unique molecular structure of OBO, which includes its stable and non-reactive nature, positions it as a versatile intermediate in organic chemistry reactions, particularly in the formation of heterocyclic compounds and chiral ligands. Its ability to act as a chiral building block further enhances its value in the realm of organic synthesis.

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  • 280-13-7 Structure
  • Basic information

    1. Product Name: 8-oxa-3-azabicyclo[3.2.1]octane
    2. Synonyms: 8-oxa-3-azabicyclo[3.2.1]octane
    3. CAS NO:280-13-7
    4. Molecular Formula: C6H11NO
    5. Molecular Weight: 113.159
    6. EINECS: N/A
    7. Product Categories: CHIRAL CHEMICALS
    8. Mol File: 280-13-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 176.6°C at 760 mmHg
    3. Flash Point: 58.6°C
    4. Appearance: /
    5. Density: 1.028g/cm3
    6. Vapor Pressure: 1.09mmHg at 25°C
    7. Refractive Index: 1.469
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 9.23±0.20(Predicted)
    11. CAS DataBase Reference: 8-oxa-3-azabicyclo[3.2.1]octane(CAS DataBase Reference)
    12. NIST Chemistry Reference: 8-oxa-3-azabicyclo[3.2.1]octane(280-13-7)
    13. EPA Substance Registry System: 8-oxa-3-azabicyclo[3.2.1]octane(280-13-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 280-13-7(Hazardous Substances Data)

280-13-7 Usage

Uses

Used in Pharmaceutical Industry:
8-Oxa-3-azabicyclo[3.2.1]octane is used as a key intermediate in the synthesis of various pharmaceutical compounds due to its ability to form heterocyclic structures and chiral ligands, which are essential in the development of new drugs with specific therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, 8-Oxa-3-azabicyclo[3.2.1]octane serves as a crucial component in the creation of agrochemicals, leveraging its molecular structure to enhance the effectiveness and selectivity of these compounds in agricultural applications.
Used in Organic Synthesis:
8-Oxa-3-azabicyclo[3.2.1]octane is utilized as a versatile intermediate in organic synthesis, particularly for the formation of heterocyclic compounds and chiral ligands. Its stable and non-reactive nature makes it an ideal candidate for complex organic reactions, contributing to the development of novel chemical entities with potential applications across various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 280-13-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 2,8 and 0 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 280-13:
(5*2)+(4*8)+(3*0)+(2*1)+(1*3)=47
47 % 10 = 7
So 280-13-7 is a valid CAS Registry Number.
InChI:InChI=1/C6H11NO/c1-2-6-4-7-3-5(1)8-6/h5-7H,1-4H2

280-13-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 8-oxa-3-azabicyclo[3.2.1]octane

1.2 Other means of identification

Product number -
Other names bicyclomorpholine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:280-13-7 SDS

280-13-7Relevant articles and documents

Novel route for the synthesis of 8-oxa-3-azabicyclo[3.2.1]octane: One-pot aminocyclization of 2,5-tetrahydrofurandimethanol catalyzed by Pt/NiCuAlOx

Cui, Xinjiang,Yuan, Hangkong,Li, Jerry-Peng,De Campo, Floryan,Pera-Titus, Marc,Deng, Youquan,Shi, Feng

, p. 195 - 199 (2015)

2,5-Tetrahydrofurandimethanol (THFDM) was selectively transformed into 8-oxa-3-azabicyclo[3.2.1] octane (OABCO), a valuable building block for the synthesis of bioactive molecules, via one-pot aminocyclization with ammonia catalyzed by Pt/NiCuAlOx. Under optimized conditions (200 °C, 6-16 h, 0.5 MPa hydrogen, 0.4 MPa ammonia), the OABCO yield reached 58% with 100% THFDM conversion.

A PROCESS FOR PRODUCING A TETRAHYDROFURAN COMPOUND COMPRISING AT LEAST TWO AMINE FUNCTIONAL GROUPS

-

Page/Page column 12, (2018/07/29)

The present invention concerns a process for preparing a tetrahydrofuran compound comprising at least two amine functional groups by reacting a furan compound comprising at least two nitrogen-containing functional groups with hydrogen in the presence of a hydrogenation catalyst.

Substituted benzothiazole amide derivatives

-

, (2008/06/13)

A compound of formula I and a method of treatment of diseases, related to modulation of the adenosine A2 receptor system comprising administering a compound of formula 1to a person in need of such treatment.

8-Oxa-3-azabicyclo(3.2.1)octane analgesic compositions and method of alleviating pain in animals

-

, (2008/06/13)

Disclosed are compounds, having the following general formula, which are useful as analgesics in living animals. SPC1 Wherein R is a radical selected from the group consisting of aralkyl, aryl, aminoalkyl, arylalkanoyl, heteroaroyl, alkoxy substituted aroyl, alkenyl (C2 to C4), halogen substituted aralkyl, guanadinoalkyl, halogen substituted aroyl, alkyl substituted aroyl, halogen substituted arylalkanoyl, hexahydrobenzoyl, arylalkenoyl, o- or p-alkyl substituted phenylalkanoyl, alkyl substituted naphthylalkanoyl, alkanoyl (C3 to C20), haloalkyl substituted aroyl, alkoxy substituted aralkyl, heteroaralkyl, anilinocarbonyl, adamantanecarbonyl, arylsulfonyl, carboxyl substituted aroyl, hydroxyl substituted aroyl, alkanoyloxy substituted aroyl, arylglyoxylyl, alicyclic, arylene dicarbonyl-8-oxa-3-azabicyclo(3.2.1)octane, alkylene-8-oxa-3-azabicyclo (3.2.1)octane, alkylene dicarbonyl-8-oxa-3-azabicyclo(3.2.1)octane, and the pharmacologically acceptable acid addition salts thereof.

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