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6-Fluoroisoquinoline, a fluorinated derivative of isoquinoline with the molecular formula C9H6FN, is a chemical compound that serves as a versatile building block in the synthesis of biologically active compounds and pharmaceuticals. Its unique structure and properties make it a valuable precursor in the development of various drugs and agrochemicals, as well as a useful tool in research and development for creating new molecules with potential therapeutic benefits. Furthermore, 6-Fluoroisoquinoline is employed as a fluorescent probe in analytical chemistry and bioimaging studies, although its toxic nature necessitates careful handling to avoid ingestion or inhalation.

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  • 1075-11-2 Structure
  • Basic information

    1. Product Name: 6-FLUOROISOQUINOLINE
    2. Synonyms: 6-FLUOROISOQUINOLINE
    3. CAS NO:1075-11-2
    4. Molecular Formula: C9H6FN
    5. Molecular Weight: 147.15
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1075-11-2.mol
  • Chemical Properties

    1. Melting Point: 48-50℃
    2. Boiling Point: 255.265 °C at 760 mmHg
    3. Flash Point: 108.181 °C
    4. Appearance: /
    5. Density: 1.216 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. PKA: 5.27±0.10(Predicted)
    10. CAS DataBase Reference: 6-FLUOROISOQUINOLINE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 6-FLUOROISOQUINOLINE(1075-11-2)
    12. EPA Substance Registry System: 6-FLUOROISOQUINOLINE(1075-11-2)
  • 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: 1075-11-2(Hazardous Substances Data)

1075-11-2 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
6-Fluoroisoquinoline is used as a key precursor in the synthesis of various drugs and agrochemicals for its ability to enhance the biological activity and therapeutic potential of the resulting compounds.
Used in Research and Development:
6-Fluoroisoquinoline is utilized as a starting material in the creation of new molecules with potential therapeutic benefits, contributing to the advancement of medicine and healthcare.
Used in Analytical Chemistry and Bioimaging:
6-Fluoroisoquinoline is employed as a fluorescent probe, enabling the detection, analysis, and visualization of specific molecules or biological processes in various analytical and imaging techniques.

Check Digit Verification of cas no

The CAS Registry Mumber 1075-11-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,7 and 5 respectively; the second part has 2 digits, 1 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1075-11:
(6*1)+(5*0)+(4*7)+(3*5)+(2*1)+(1*1)=52
52 % 10 = 2
So 1075-11-2 is a valid CAS Registry Number.

1075-11-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-Fluoroisoquinoline

1.2 Other means of identification

Product number -
Other names 6-Fluor-isochinolin

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:1075-11-2 SDS

1075-11-2Relevant articles and documents

Synthesis of Indole-Dihydroisoquinoline Sulfonyl Ureas via Three-Component Reactions

Pearson, Stuart E.,Fillery, Shaun M.,Goldberg, Kristin,Demeritt, Julie E.,Eden, Jonathan,Finlayson, Jonathan,Patel, Anil

, p. 4963 - 4981 (2018)

Isoquinolines activated with sulfamoyl chlorides were reacted with indoles in a 3-component reaction to generate a library of dihydroisoquinoline derivatives. Using a differential protecting group strategy, products could be further derivatised. Synthesis of isoquinoline starting materials using several different methods is also described.

PhenoFluor: Practical synthesis, new formulation, and deoxyfluorination of heteroaromatics

Fujimoto, Teppei,Becker, Fabian,Ritter, Tobias

supporting information, p. 1041 - 1044 (2014/11/07)

We report a practical synthesis method of the reagent PhenoFluor on decagram scale, provide a new formulation of PhenoFluor as a toluene solution, which should decrease challenges associated with the moisture sensitivity of the reagent, and expand the substrate scope of deoxyfluorination with PhenoFluor to heteroaromatics.

Pd-catalyzed nucleophilic fluorination of aryl bromides

Lee, Hong Geun,Milner, Phillip J.,Buchwald, Stephen L.

supporting information, p. 3792 - 3795 (2014/04/03)

On the basis of mechanism-driven reaction design, a Pd-catalyzed nucleophilic fluorination of aryl bromides and iodides has been developed. The method exhibits a broad substrate scope, especially with respect to nitrogen-containing heteroaryl bromides, and proceeds with minimal formation of the corresponding reduction products. A facilitated ligand modification process was shown to be critical to the success of the reaction.

CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES

-

Page/Page column 44, (2008/12/06)

The invention relates to 6-substituted isoquinolone derivatives of the formula (I) useful for the treatment and/or prevention of diseases associated with Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase, and composit

CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES

-

Page/Page column 46, (2008/12/06)

The invention relates to 6-substituted isoquinoline derivatives of the Formula (I) useful for the treatment and/or prevention of diseases associated with Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase, and compositions containing such compounds.

CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES

-

Page/Page column 48, (2008/12/06)

The invention relates to 6-substituted isoquinoline and isoquinolinone derivatives of the formula (I) useful for the treatment and/or prevention of diseases associated with Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase, and compositions containing such compounds.

ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE

-

Page/Page column 43, (2008/06/13)

The invention relates to 6-piperidinyl-substituted isoquinoline derivatives of the formula (I); useful for the treatment and/or prevention of diseases associated with Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase, and compositions containing such compounds.

PIPERIDINYL-SUBSTITUTED ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS

-

Page/Page column 35-36, (2008/06/13)

The invention relates to 6-piperidinyl-substituted isoquinolone derivatives of the formula (I) or isoquinoline derivatives of the formula (I′) useful for the treatment and/or prevention of diseases associated with Rho-kinase and/or Rho-kinase mediated pho

CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS

-

Page/Page column 34, (2010/11/25)

The invention relates to 6-cyclohexylamine-substituted isoquinolone derivatives of the formula (I) or isoquinoline derivatives of the formula (I’) useful for the treatment and/or prevention of diseases associated with Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase, and compositions containing such compounds.

Synthesis and SAR exploration of dinapsoline analogues

Sit, Sing-Yuen,Xie, Kai,Jacutin-Porte, Swanee,Boy, Kenneth M.,Seanz, James,Taber, Matthew T.,Gulwadi, Amit G.,Korpinen, Carolyn D.,Burris, Kevin D.,Molski, Thaddeus F.,Ryan, Elaine,Xu, Cen,Verdoorn, Todd,Johnson, Graham,Nichols, David E.,Mailman, Richard B.

, p. 715 - 734 (2007/10/03)

Dinapsoline is a full D1 dopamine receptor agonist that produces robust rotational activity in the unilateral 6-OHDA rat model. This compound is orally active, and shows a low tendency to cause tolerance in rat models. The active enantiomer was determined to have the S-(+) configuration, and the opposite enantiomer is essentially devoid of biological activity. Taken together, dinapsoline has significant metabolic and pharmacological advantages over previous D1 agonists. In an attempt to define the structure-activity relationships (SARs) and to map out the key elements surrounding the unique structure of dinapsoline, core analogues and substitution analogues of the parent tetracyclic condensed ring structure were prepared. Based on a recently developed synthesis of dinapsoline and its enantiomers, both core and substitution analogues on all four rings (A, B′, C and D ring) of dinapsoline were synthesized. It was found that affinity for both D1and D2 receptors was decreased by most substituents on the A, B′, and C rings, whereas D ring substitutions preserved much of the dopamine receptor binding activity.

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