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(R)-7-(TRIFLUOROMETHYL)CHROMAN-4-AMINE is a chiral chemical compound with the molecular formula C9H9F3NO. It is a derivative of chroman-4-amine, featuring a trifluoromethyl group attached to the 7th carbon of the chroman ring. As the R form, it is the active optical isomer, which makes it a promising candidate for pharmaceutical research and drug development. Its unique chemical structure and properties, including the trifluoromethyl group, contribute to its chemical reactivity and potential pharmacological activity, positioning it as an interesting target for further study in medicinal chemistry.

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  • 1213657-96-5 Structure
  • Basic information

    1. Product Name: (R)-7-(TRIFLUOROMETHYL)CHROMAN-4-AMINE
    2. Synonyms: (R)-7-(TRIFLUOROMETHYL)CHROMAN-4-AMINE;(4R)-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
    3. CAS NO:1213657-96-5
    4. Molecular Formula: C10H10F3NO
    5. Molecular Weight: 217.1877096
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1213657-96-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: (R)-7-(TRIFLUOROMETHYL)CHROMAN-4-AMINE(CAS DataBase Reference)
    10. NIST Chemistry Reference: (R)-7-(TRIFLUOROMETHYL)CHROMAN-4-AMINE(1213657-96-5)
    11. EPA Substance Registry System: (R)-7-(TRIFLUOROMETHYL)CHROMAN-4-AMINE(1213657-96-5)
  • 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: 1213657-96-5(Hazardous Substances Data)

1213657-96-5 Usage

Uses

Used in Pharmaceutical Research and Drug Development:
(R)-7-(TRIFLUOROMETHYL)CHROMAN-4-AMINE is used as a potential pharmacological agent due to its unique chemical structure and properties. The trifluoromethyl group enhances its chemical reactivity and may influence its pharmacological activity, making it a valuable compound for the development of new drugs.
Used in Medicinal Chemistry:
(R)-7-(TRIFLUOROMETHYL)CHROMAN-4-AMINE is used as a building block for the synthesis of other biologically active compounds. Its chiral nature and the presence of the trifluoromethyl group make it an interesting target for further exploration and study in the field of medicinal chemistry, potentially leading to the discovery of novel therapeutic agents.
Used in Chemical Reactivity Studies:
(R)-7-(TRIFLUOROMETHYL)CHROMAN-4-AMINE is used in studies to understand the impact of the trifluoromethyl group on the chemical reactivity of chroman-4-amine derivatives. This knowledge can be applied to optimize the synthesis of related compounds and improve their pharmacological properties.

Check Digit Verification of cas no

The CAS Registry Mumber 1213657-96-5 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,1,3,6,5 and 7 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1213657-96:
(9*1)+(8*2)+(7*1)+(6*3)+(5*6)+(4*5)+(3*7)+(2*9)+(1*6)=145
145 % 10 = 5
So 1213657-96-5 is a valid CAS Registry Number.

1213657-96-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name (4R)-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine

1.2 Other means of identification

Product number -
Other names (R)-7-(trifluoromethyl)chroman-4-amine

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:1213657-96-5 SDS

1213657-96-5Downstream Products

1213657-96-5Relevant articles and documents

Chroman and tetrahydroquinoline ureas as potent TRPV1 antagonists

Schmidt, Robert G.,Bayburt, Erol K.,Latshaw, Steven P.,Koenig, John R.,Daanen, Jerome F.,McDonald, Heath A.,Bianchi, Bruce R.,Zhong, Chengmin,Joshi, Shailen,Honore, Prisca,Marsh, Kennan C.,Lee, Chih-Hung,Faltynek, Connie R.,Gomtsyan, Arthur

, p. 1338 - 1341 (2011/04/23)

Novel chroman and tetrahydroquinoline ureas were synthesized and evaluated for their activity as TRPV1 antagonists. It was found that aryl substituents on the 7- or 8-position of both bicyclic scaffolds imparted the best in vitro potency at TRPV1. The most potent chroman ureas were assessed in chronic and acute pain models, and compounds with the ability to cross the blood-brain barrier were shown to be highly efficacious. The tetrahydroquinoline ureas were found to be potent CYP3A4 inhibitors, but replacement of bulky substituents at the nitrogen atom of the tetrahydroisoquinoline moiety with small groups such as methyl can minimize the inhibition.

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