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501015-17-4

(R)-BOC-2-(TRIFLUOROMETHYL)-BETA-PHE-OH is a chemical compound utilized in pharmaceuticals and biochemical research. It features a trifluoromethyl group, which enhances the pharmacokinetic properties of drug-like molecules by improving their metabolic stability, lipophilicity, and bioavailability. (R)-BOC-2-(TRIFLUOROMETHYL)-BETA-PHE-OH's (R) configuration is significant for the biological activity of certain pharmaceuticals. The BOC (tert-Butyloxycarbonyl) group serves as a protecting agent in organic synthesis, preventing unwanted reactions in specific functional groups while enabling reactions in others. The "Beta-Phe-OH" component signifies the presence of a phenylalanine molecule, an essential amino acid found in proteins.

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  • (R)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(2-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID

    Cas No: 501015-17-4

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  • N-β-(t-Butoxycarbonyl)-2-trifluoromethyl-L-β-homophenylglycine

    Cas No: 501015-17-4

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  • 501015-17-4 Structure

  • Basic information

    1. Product Name: (R)-BOC-2-(TRIFLUOROMETHYL)-BETA-PHE-OH
    2. Synonyms: (r)-boc-2-(trifluoromethyl)-β-phe-oh;Boc-D-b-Phe(2-CF3)-OH;Boc-2-(trifluoromethyl)-L-β-phenylalanine, (R)-3-(Boc-amino)-3-[2-(trifluoromethyl)phenyl]propionic acid;(R)-3-(tert-butoxycarbonylaMino)-3-(2-(trifluoroMethyl)phenyl)propanoic acid;(3R)-3-[(2-Methylpropan-2-yl)oxycarbonylaMino]-3-[2-(trifluoroMethyl)phenyl]propanoic acid;Boc-(R)-2-trifluoromethyl-b-phenylalanine;(Tert-Butoxy)Carbonyl (R)-3-Amino-3-(2-trifluoromethyl-phenyl)propionic acid
    3. CAS NO:501015-17-4
    4. Molecular Formula: C15H18F3NO4
    5. Molecular Weight: 333.304
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 501015-17-4.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 426.1°C at 760 mmHg
    3. Flash Point: 211.5°C
    4. Appearance: /
    5. Density: 1.269g/cm3
    6. Vapor Pressure: 5.08E-08mmHg at 25°C
    7. Refractive Index: 1.486
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 4.20±0.10(Predicted)
    11. CAS DataBase Reference: (R)-BOC-2-(TRIFLUOROMETHYL)-BETA-PHE-OH(CAS DataBase Reference)
    12. NIST Chemistry Reference: (R)-BOC-2-(TRIFLUOROMETHYL)-BETA-PHE-OH(501015-17-4)
    13. EPA Substance Registry System: (R)-BOC-2-(TRIFLUOROMETHYL)-BETA-PHE-OH(501015-17-4)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 501015-17-4(Hazardous Substances Data)

501015-17-4 Usage

Uses

Used in Pharmaceutical Industry:
(R)-BOC-2-(TRIFLUOROMETHYL)-BETA-PHE-OH is used as a key intermediate in the synthesis of pharmaceutical compounds for its ability to improve the pharmacokinetic properties of drug molecules, making them more stable, lipophilic, and bioavailable.
Used in Biochemical Research:
(R)-BOC-2-(TRIFLUOROMETHYL)-BETA-PHE-OH is used as a research tool for studying the effects of stereochemistry on the biological activity of pharmaceuticals, particularly in the context of the (R) configuration's role in enhancing or modulating drug efficacy.
Used in Organic Synthesis:
(R)-BOC-2-(TRIFLUOROMETHYL)-BETA-PHE-OH is used as a protecting group in the synthesis of complex organic molecules, where the BOC group helps to prevent unwanted reactions in certain functional groups, allowing for more controlled and selective reactions in other parts of the molecule.

Check Digit Verification of cas no

The CAS Registry Mumber 501015-17-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 5,0,1,0,1 and 5 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 501015-17:
(8*5)+(7*0)+(6*1)+(5*0)+(4*1)+(3*5)+(2*1)+(1*7)=74
74 % 10 = 4
So 501015-17-4 is a valid CAS Registry Number.
InChI:InChI=1/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(8-12(20)21)9-6-4-5-7-10(9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m0/s1

501015-17-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(trifluoromethyl)phenyl]propanoic acid

1.2 Other means of identification

Product number -
Other names -

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:501015-17-4 SDS

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