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8-FLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE is a heterocyclic chemical compound characterized by the presence of a fluorine atom attached to a tetrahydro-isoquinoline ring structure. This unique structure endows it with potential applications in medicinal chemistry, particularly in the development of pharmaceuticals and drug research. It serves as a valuable building block for the synthesis of various biologically active molecules and drug candidates, making it an important intermediate in organic synthesis and drug discovery with potential pharmacological and therapeutic significance.

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  • 123594-01-4 Structure
  • Basic information

    1. Product Name: 8-FLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
    2. Synonyms: 8-FLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE;Isoquinoline,8-fluoro-1,2,3,4-tetrahydro-
    3. CAS NO:123594-01-4
    4. Molecular Formula: C9H10FN
    5. Molecular Weight: 151.18
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 123594-01-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 234.9±40.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.107
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    8. Solubility: N/A
    9. PKA: 8.82±0.20(Predicted)
    10. CAS DataBase Reference: 8-FLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 8-FLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE(123594-01-4)
    12. EPA Substance Registry System: 8-FLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE(123594-01-4)
  • 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: 123594-01-4(Hazardous Substances Data)

123594-01-4 Usage

Uses

Used in Pharmaceutical Industry:
8-FLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE is used as a key intermediate in the synthesis of biologically active molecules for the development of new pharmaceuticals. Its unique structure and fluorine substitution make it an interesting target for chemical modification, allowing for the exploration of its potential biological activities and the enhancement of drug properties such as potency, selectivity, and metabolic stability.
Used in Drug Research:
In drug research, 8-FLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE is utilized as a starting material or building block for the design and synthesis of novel drug candidates. Its incorporation into molecular frameworks can lead to the discovery of new therapeutic agents with improved pharmacological profiles, including increased efficacy, reduced side effects, and better pharmacokinetic properties.
Overall, 8-FLUORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE plays a crucial role in the advancement of medicinal chemistry and drug discovery, offering a versatile platform for the development of innovative therapeutic agents with potential applications across various medical fields.

Check Digit Verification of cas no

The CAS Registry Mumber 123594-01-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,3,5,9 and 4 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 123594-01:
(8*1)+(7*2)+(6*3)+(5*5)+(4*9)+(3*4)+(2*0)+(1*1)=114
114 % 10 = 4
So 123594-01-4 is a valid CAS Registry Number.

123594-01-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 8-fluoro-1,2,3,4-tetrahydroisoquinoline

1.2 Other means of identification

Product number -
Other names S14-2859

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:123594-01-4 SDS

123594-01-4Downstream Products

123594-01-4Relevant articles and documents

Synthesis of 8-fluoro-3,4-dihydroisoquinoline and its transformation to 1,8-disubstituted tetrahydroisoquinolines

Hargitai, Csilla,Nagy, Tamás,Halász, Judit,Simig, Gyula,Volk, Balázs

, (2018)

A simple procedure for the synthesis of 8-fluoro-3,4-dihydroisoquinoline is described below, based on a directed ortho-lithiation reaction. This key intermediate was then applied in various transformations. Fluorine–amine exchange afforded the corresponding 8-amino-3,4-dihydroisoquinolines, suitable starting compounds for the synthesis of 1-substituted 8-amino-tetrahydroisoquinolines. On the other hand, reduction and alkylation reactions of 8-fluoro-3,4-dihydroisoquinoline led to novel 1,2,3,4-tetrahydroisoquinoline derivatives that can be used as building blocks in the synthesis of potential central nervous system drug candidates.

SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF

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Paragraph 00552, (2018/08/03)

Provided herein are small molecule activators of Nicotinamide Phosphoribosyltransferase (NAMPT), compositions comprising the compounds, and methods of using the compounds and compositions.

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