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CAS

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1213556-08-1

(S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol is a chemical compound characterized by its molecular structure that features a trifluorophenyl group and an amino group attached to a chiral carbon. (S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol is known for its unique stereochemistry, which significantly influences the biological activity and pharmacokinetic properties of the pharmaceutical drugs it is used to synthesize.

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  • 1213556-08-1 Structure

  • Basic information

    1. Product Name: (S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol
    2. Synonyms:
    3. CAS NO:1213556-08-1
    4. Molecular Formula:
    5. Molecular Weight: 191.153
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1213556-08-1.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: (S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol(CAS DataBase Reference)
    10. NIST Chemistry Reference: (S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol(1213556-08-1)
    11. EPA Substance Registry System: (S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol(1213556-08-1)

  • 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: 1213556-08-1(Hazardous Substances Data)

1213556-08-1 Usage

Uses

Used in Pharmaceutical Industry:
(S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol is used as a chiral building block for the synthesis of various compounds, including pharmaceutical drugs. Its unique stereochemistry makes it a valuable tool in the development of new drugs, as it can enhance the efficacy and selectivity of the final molecules.
Additionally, the trifluorophenyl group in (S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol provides increased lipophilicity and potential for protein binding, making it a useful component for drug design and development. This feature is particularly important for improving the drug's absorption, distribution, metabolism, and excretion (ADME) properties, which are crucial for its overall pharmacological performance.

Check Digit Verification of cas no

The CAS Registry Mumber 1213556-08-1 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,1,3,5,5 and 6 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 1213556-08:
(9*1)+(8*2)+(7*1)+(6*3)+(5*5)+(4*5)+(3*6)+(2*0)+(1*8)=121
121 % 10 = 1
So 1213556-08-1 is a valid CAS Registry Number.

1213556-08-1Relevant articles and documents

Cyclic hydroxyamidines as amide isosteres: Discovery of oxadiazolines and oxadiazines as potent and highly efficacious γ-secretase modulators in vivo

Sun, Zhong-Yue,Asberom, Theodros,Bara, Thomas,Bennett, Chad,Burnett, Duane,Chu, Inhou,Clader, John,Cohen-Williams, Mary,Cole, David,Czarniecki, Michael,Durkin, James,Gallo, Gioconda,Greenlee, William,Josien, Hubert,Huang, Xianhai,Hyde, Lynn,Jones, Nicholas,Kazakevich, Irina,Li, Hongmei,Liu, Xiaoxiang,Lee, Julie,MacCoss, Malcolm,Mandal, Mihir B.,McCracken, Troy,Nomeir, Amin,Mazzola, Robert,Palani, Anandan,Parker, Eric M.,Pissarnitski, Dmitri A.,Qin, Jun,Song, Lixin,Terracina, Giuseppe,Vicarel, Monica,Voigt, Johannes,Xu, Ruo,Zhang, Lili,Zhang, Qi,Zhao, Zhiqiang,Zhu, Xiaohong,Zhu, Zhaoning

experimental part, p. 489 - 502 (2012/03/11)

Cyclic hydroxyamidines were designed and validated as isosteric replacements of the amide functionality. Compounds with these structural motifs were found to be metabolically stable and to possess highly desirable pharmacokinetic profiles. These designs were applied in the identification of γ-secretase modulators leading to highly efficacious agents for reduction of central nervous system Aβ42 in various animal models.

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