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(R)-1-(tert-butyl)-2,2,2-trifluoroethylamine hydrochloride is a chemical compound featuring a tert-butyl group, a trifluoroethyl group, and an amine group, all connected to a central carbon atom. As a chiral molecule with a non-superimposable mirror image, it is predominantly utilized in the pharmaceutical and research sectors. This hydrochloride salt form is particularly favored for its applications in the synthesis of pharmaceuticals and agrochemicals, making it a valuable asset in the field of medicinal chemistry for the development of novel drugs and treatments. Due to its potentially hazardous nature, it is crucial to handle and use this compound with caution and adherence to proper safety protocols.

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  • 736127-08-5 Structure
  • Basic information

    1. Product Name: (R)-1-(tert-butyl)-2,2,2-trifluoroethylamine hydrochloride
    2. Synonyms:
    3. CAS NO:736127-08-5
    4. Molecular Formula:
    5. Molecular Weight: 155.163
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 736127-08-5.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: (R)-1-(tert-butyl)-2,2,2-trifluoroethylamine hydrochloride(CAS DataBase Reference)
    10. NIST Chemistry Reference: (R)-1-(tert-butyl)-2,2,2-trifluoroethylamine hydrochloride(736127-08-5)
    11. EPA Substance Registry System: (R)-1-(tert-butyl)-2,2,2-trifluoroethylamine hydrochloride(736127-08-5)
  • 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: 736127-08-5(Hazardous Substances Data)

736127-08-5 Usage

Uses

Used in Pharmaceutical Industry:
(R)-1-(tert-butyl)-2,2,2-trifluoroethylamine hydrochloride is used as a key intermediate for the synthesis of various pharmaceuticals. Its unique structure and reactivity make it a valuable building block in the creation of new drugs, contributing to the development of innovative treatments for a range of medical conditions.
Used in Agrochemical Industry:
In the agrochemical sector, (R)-1-(tert-butyl)-2,2,2-trifluoroethylamine hydrochloride is employed as a crucial component in the synthesis of various agrochemicals. Its incorporation into these products aids in enhancing their effectiveness, leading to improved crop protection and yield.
Used in Research Applications:
(R)-1-(tert-butyl)-2,2,2-trifluoroethylamine hydrochloride is also utilized in research settings, where it serves as a vital tool for understanding the properties and behavior of chiral molecules. Its use in research contributes to the advancement of knowledge in the field of medicinal chemistry and aids in the development of more effective and targeted therapies.
Used in Chiral Synthesis:
(R)-1-(tert-butyl)-2,2,2-trifluoroethylamine hydrochloride is used as a chiral auxiliary in the synthesis of enantiomerically pure compounds. Its ability to induce chirality in target molecules makes it an essential component in the production of single-enantiomer drugs, which are often more effective and have fewer side effects than their racemic counterparts.

Check Digit Verification of cas no

The CAS Registry Mumber 736127-08-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 7,3,6,1,2 and 7 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 736127-08:
(8*7)+(7*3)+(6*6)+(5*1)+(4*2)+(3*7)+(2*0)+(1*8)=155
155 % 10 = 5
So 736127-08-5 is a valid CAS Registry Number.

736127-08-5Upstream product

736127-08-5Downstream Products

736127-08-5Relevant articles and documents

Bifunctional Thioureas with α-Trifluoromethyl or Methyl Groups: Comparison of Catalytic Performance in Michael Additions

Jiménez, Eddy I.,Vallejo Narváez, Wilmer E.,Román-Chavarría, Carlos A.,Vazquez-Chavez, Josue,Rocha-Rinza, Tomás,Hernández-Rodríguez, Marcos

, p. 7419 - 7431 (2016)

Thioureas are an important scaffold in organocatalysis because of their ability to form hydrogen bonds that activate substrates and fix them in a defined position, which allows a given reaction to occur. Structures that enhance the acidity of the thiourea are usually used to increase the hydrogen-bonding properties, such as 3,5-bis(trifluoromethyl)phenyl and boronate ureas. Herein, we report the synthesis of bifunctional thioureas with a chiral moiety that include either a trifluoromethyl or methyl group. Their catalytic performance in representative Michael addition reactions was used in an effort to compare the electronic effects of the fluorination at the methyl group. The observed differences concerning yields and ee values cannot be attributed solely to the different steric environments; theoretical results indicate distinct interactions within the corresponding transition states. The calculated transition states show that the fluorinated catalysts have stronger N-H···O and C-H···F hydrogen bonds, while the nonfluorinated systems have C-H···π contacts. These results have shown that a variety of hydrogen-bonding interactions are important in determining the yield and selectivity of thiourea organocatalysis. These details can be further exploited in catalyst design.

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