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(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one is a complex azepane compound with a unique 3R and 6S stereochemistry. It features an amino group, two distinct fluorophenyl groups, and a trifluoroethyl group, which may confer unique chemical and biological properties. This molecule holds potential for pharmaceutical and materials science applications, and its synthesis and characterization are of interest to chemists and researchers.

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  • (3R,6S)-3-AMINO-6-(2,3-DIFLUOROPHENYL)-1-(2,2,2-TRIFLUOROETHYL)AZEPAN-2-ONE

    Cas No: 781650-41-7

  • USD $ 1.9-2.9 / Gram

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  • 781650-41-7 Structure
  • Basic information

    1. Product Name: (3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one
    2. Synonyms: (3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one;2H-Azepin-2-one, 3-aMino-6-(2,3-difluorophenyl)hexahydro-1-(2,2,2-trifluoroethyl)-, (3R,6S)-
    3. CAS NO:781650-41-7
    4. Molecular Formula: C14H15F5N2O
    5. Molecular Weight: 322.276
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 781650-41-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 367.6°C at 760 mmHg
    3. Flash Point: 176.1°C
    4. Appearance: /
    5. Density: 1.31g/cm3
    6. Vapor Pressure: 1.35E-05mmHg at 25°C
    7. Refractive Index: 1.474
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: (3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one(CAS DataBase Reference)
    11. NIST Chemistry Reference: (3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one(781650-41-7)
    12. EPA Substance Registry System: (3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one(781650-41-7)
  • 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: 781650-41-7(Hazardous Substances Data)

781650-41-7 Usage

Uses

Used in Pharmaceutical Industry:
(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one is used as a pharmaceutical candidate for its potential unique biological properties. Its specific stereochemistry and functional groups may contribute to its efficacy in targeting specific biological pathways or receptors, making it a promising molecule for the development of new drugs.
Used in Materials Science:
(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one is used as a material in materials science for its potential unique chemical properties. The presence of fluorine atoms and the trifluoroethyl group may impart specific characteristics, such as enhanced stability or reactivity, which could be harnessed in the development of new materials with specialized applications.

Check Digit Verification of cas no

The CAS Registry Mumber 781650-41-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 7,8,1,6,5 and 0 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 781650-41:
(8*7)+(7*8)+(6*1)+(5*6)+(4*5)+(3*0)+(2*4)+(1*1)=177
177 % 10 = 7
So 781650-41-7 is a valid CAS Registry Number.
InChI:InChI=1/C14H15F5N2O/c15-10-3-1-2-9(12(10)16)8-4-5-11(20)13(22)21(6-8)7-14(17,18)19/h1-3,8,11H,4-7,20H2/t8-,11-/m1/s1

781650-41-7Downstream Products

781650-41-7Relevant articles and documents

CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS

-

, (2009/01/24)

Compounds of formula I: I wherein variables A1, A2, B, m, n, J, R4, G1, G2, G3 and Y are as described herein, which are antagonists of CGRP receptors and which are useful in the treatment or prevention of diseases in which the CGRP is involved, such as mi

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