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CAS

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869494-14-4

3-Benzyl-3,6-diazabicyclo[3.1.1]heptane, also known as BEB, is a bicyclic amine compound derived from the natural product norbelladine. It features a unique structure with a bridged bicyclic ring system and a benzyl group, which endows it with interesting chemical properties and strong binding affinity for various biological targets. This makes BEB a promising candidate for pharmaceutical design and a versatile building block in medicinal chemistry and drug development.

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  • 869494-14-4 Structure

  • Basic information

    1. Product Name: 3-benzyl-3,6-diazabicyclo[3.1.1]heptane
    2. Synonyms: 3-benzyl-3,6-diazabicyclo[3.1.1]heptane;3,6-Diazabicyclo[3.1.1]heptane, 3-(phenylmethyl)-
    3. CAS NO:869494-14-4
    4. Molecular Formula: C12H16N2
    5. Molecular Weight: 188.26884
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 869494-14-4.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 291.0±20.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.103±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 10.02±0.20(Predicted)
    10. CAS DataBase Reference: 3-benzyl-3,6-diazabicyclo[3.1.1]heptane(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-benzyl-3,6-diazabicyclo[3.1.1]heptane(869494-14-4)
    12. EPA Substance Registry System: 3-benzyl-3,6-diazabicyclo[3.1.1]heptane(869494-14-4)

  • 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: 869494-14-4(Hazardous Substances Data)

869494-14-4 Usage

Uses

Used in Medicinal Chemistry:
3-Benzyl-3,6-diazabicyclo[3.1.1]heptane is used as a key intermediate in the synthesis of various pharmaceutical compounds due to its unique molecular structure and strong binding affinity for biological targets. Its presence in drug molecules can enhance their interaction with specific receptors or enzymes, leading to improved therapeutic effects.
Used in Drug Development:
3-Benzyl-3,6-diazabicyclo[3.1.1]heptane is utilized as a starting material or building block in the development of new drugs. Its distinct chemical behavior and potential to form stable complexes with biological targets make it a valuable component in the creation of innovative therapeutic agents.
Used in Chemical Research:
3-Benzyl-3,6-diazabicyclo[3.1.1]heptane serves as a subject of study in chemical research, where its unique properties and interactions with biological systems are explored. This research helps to expand our understanding of its potential applications and contributes to the advancement of scientific knowledge in the field.
Used in Industrial Applications:
3-Benzyl-3,6-diazabicyclo[3.1.1]heptane may also find use in various industrial applications, such as the synthesis of specialty chemicals, materials, or catalysts, owing to its unique structure and chemical properties. Its versatility and potential for modification make it a valuable component in the development of new industrial products.

Check Digit Verification of cas no

The CAS Registry Mumber 869494-14-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,6,9,4,9 and 4 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 869494-14:
(8*8)+(7*6)+(6*9)+(5*4)+(4*9)+(3*4)+(2*1)+(1*4)=234
234 % 10 = 4
So 869494-14-4 is a valid CAS Registry Number.

869494-14-4Relevant articles and documents

3,6-DIAZABICYCLOS[3.1.1]HEPTANE DERIVATIVES WITH ANALGESIC ACTIVITY

-

, (2010/02/14)

The invention relates to compounds of general formula (I), wherein R and R1, different from one another, are: a C2-C8 straight or branched acyl group; and a group of formula (II), wherein B and R2 are as defined in the description. The compounds (I) have higher central analgesic activity than morphine and are substantially free from the side effects of morphine or other central analgesics. The invention further relates to a process for the preparation of the compounds (I).

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