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1-(3-bromophenyl)piperidin-4-one is a chemical compound with the molecular formula C11H12BrNO. It is a piperidinone derivative featuring a bromophenyl group attached at the 3-position of the piperidine ring. 1-(3-bromophenyl)piperidin-4-one holds potential in medicinal chemistry and drug development due to the diverse biological activities exhibited by piperidinones. The bromine atom in its structure may also enhance its pharmacological properties, although further research is needed to fully explore its applications and effects.

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  • 1016769-81-5 Structure
  • Basic information

    1. Product Name: 1-(3-bromophenyl)piperidin-4-one
    2. Synonyms: 1-(3-bromophenyl)piperidin-4-one;1-(3-bromophenyl)-4-Piperidinone;QRHASCGAIQGKHB-UHFFFAOYSA-N
    3. CAS NO:1016769-81-5
    4. Molecular Formula: C11H12BrNO
    5. Molecular Weight: 254.12308
    6. EINECS: N/A
    7. Product Categories: CHIRAL CHEMICALS
    8. Mol File: 1016769-81-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 377.6±37.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.457±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 4.02±0.40(Predicted)
    10. CAS DataBase Reference: 1-(3-bromophenyl)piperidin-4-one(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-(3-bromophenyl)piperidin-4-one(1016769-81-5)
    12. EPA Substance Registry System: 1-(3-bromophenyl)piperidin-4-one(1016769-81-5)
  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 22
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1016769-81-5(Hazardous Substances Data)

1016769-81-5 Usage

Uses

Used in Medicinal Chemistry:
1-(3-bromophenyl)piperidin-4-one is used as a chemical intermediate for the synthesis of various pharmaceuticals, leveraging its unique structure and potential biological activities.
Used in Drug Development:
As a compound with a wide range of biological activities, 1-(3-bromophenyl)piperidin-4-one is utilized in drug development for the creation of new therapeutic agents, particularly in the areas where its specific properties can address unmet medical needs.
Used in Pharmaceutical Research:
1-(3-bromophenyl)piperidin-4-one serves as a subject of research in pharmaceutical studies, where its structure-activity relationships and potential interactions with biological targets are investigated to understand its full therapeutic potential.
Used in Chemical Synthesis:
In the chemical synthesis industry, 1-(3-bromophenyl)piperidin-4-one is used as a building block for the development of novel compounds with specific properties, taking advantage of its reactive functional groups and structural features.

Check Digit Verification of cas no

The CAS Registry Mumber 1016769-81-5 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,1,6,7,6 and 9 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1016769-81:
(9*1)+(8*0)+(7*1)+(6*6)+(5*7)+(4*6)+(3*9)+(2*8)+(1*1)=155
155 % 10 = 5
So 1016769-81-5 is a valid CAS Registry Number.

1016769-81-5Relevant articles and documents

DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO

-

, (2019/02/25)

The invention relates to inhibitors of dihydrofolate reductase and pharmaceutical preparations thereof. The invention further relates to methods of treatment of parasitic infections, such as T. gondii, T. cruzi, P. falciparum, T. brucei, or L. major infections, using novel inhibitors of the invention.

Some observations relating to the use of 1-aryl-4-alkoxypiperidin-4-yl groups for the protection of the 2′-hydroxy functions in the chemical synthesis of oligoribonucleotides

Lloyd, Wayne,Reese, Colin B.,Song, Quanlai,Vandersteen, Anthony M.,Visintin, Cristina,Zhang, Pei-Zhou

, p. 165 - 176 (2007/10/03)

The comparative rates of acid-catalysed removal often 1-aryl-4-methoxypiperidin-4-yl 8 (R = Me) [including the previously reported Ctmp 5 and Fpmp 6] protecting groups for the 2′-hydroxy functions in oligoribonucleotide synthesis are discussed. These studies have led to the development of the 1-(4-chlorophenyl)-4-ethoxypiperidin-4-yl (Cpep) protecting group 8 (R = Et, R1 = R2 = H, R3 = Cl) which is both more stable than the Ctmp and Fpmp groups at pH 0.5 and more labile at pH 3.75. The influence of the ribonucleoside aglycone on the stability of the 2′-O-Fpmp and 2′-O-Ctmp protecting groups both at low and high pH is examined. The Royal Society of Chemistry 2000.

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