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1-(2-CHLORO-PHENYL)-ISOQUINOLINE is a chemical compound belonging to the isoquinoline class, characterized by its molecular formula C17H11ClN. It features a chlorophenyl group attached to the isoquinoline ring structure, which may contribute to its potential applications in pharmaceutical research and drug development. 1-(2-CHLORO-PHENYL)-ISOQUINOLINE has structural features that could be harnessed for various biological activities, such as anti-cancer, anti-microbial, and anti-inflammatory properties.

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  • 439614-58-1 Structure
  • Basic information

    1. Product Name: 1-(2-CHLORO-PHENYL)-ISOQUINOLINE
    2. Synonyms: 1-(2-CHLORO-PHENYL)-ISOQUINOLINE
    3. CAS NO:439614-58-1
    4. Molecular Formula: C15H10ClN
    5. Molecular Weight: 239.7
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 439614-58-1.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.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1-(2-CHLORO-PHENYL)-ISOQUINOLINE(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-(2-CHLORO-PHENYL)-ISOQUINOLINE(439614-58-1)
    11. EPA Substance Registry System: 1-(2-CHLORO-PHENYL)-ISOQUINOLINE(439614-58-1)
  • 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: 439614-58-1(Hazardous Substances Data)

439614-58-1 Usage

Uses

Used in Pharmaceutical Research and Drug Development:
1-(2-CHLORO-PHENYL)-ISOQUINOLINE is used as a compound of interest for pharmaceutical research and drug development due to its unique structural features and potential biological activities. Its chlorophenyl group and isoquinoline ring structure may offer opportunities for the development of new therapeutic agents.
Used in Anticancer Applications:
Within the pharmaceutical industry, 1-(2-CHLORO-PHENYL)-ISOQUINOLINE is used as a potential anticancer agent. Its isoquinoline derivatives have been studied for their anti-cancer properties, which could be further explored and developed for the treatment of various types of cancer.
Used in Anti-microbial Applications:
1-(2-CHLORO-PHENYL)-ISOQUINOLINE is also used as a potential anti-microbial agent. Its isoquinoline derivatives have shown anti-microbial properties, making it a candidate for the development of new antibiotics or antifungal agents to combat drug-resistant infections.
Used in Anti-inflammatory Applications:
In the field of inflammation and pain management, 1-(2-CHLORO-PHENYL)-ISOQUINOLINE is used as a potential anti-inflammatory agent. Its isoquinoline derivatives have demonstrated anti-inflammatory properties, which could be leveraged to develop new treatments for conditions characterized by inflammation, such as arthritis or other autoimmune disorders.

Check Digit Verification of cas no

The CAS Registry Mumber 439614-58-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,3,9,6,1 and 4 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 439614-58:
(8*4)+(7*3)+(6*9)+(5*6)+(4*1)+(3*4)+(2*5)+(1*8)=171
171 % 10 = 1
So 439614-58-1 is a valid CAS Registry Number.

439614-58-1SDS

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 1-(2-Chlorophenyl)isoquinoline

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 -
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More Details:439614-58-1 SDS

439614-58-1Downstream Products

439614-58-1Relevant articles and documents

Cu-catalyzed direct ortho-chlorination/-oxygenation of aryls: Switching of oxidant, control the diversity of products

Botla, Vinayak,Akudari, Ashok,Malapaka, Chandrasekharam

supporting information, p. 115 - 119 (2018/12/05)

Highly regioselective copper catalyzed ortho-chlorination of aryl pyridines was achieved with TBHP as oxidant and 1,2-dichloroethane as chlorinating agent for the first time. Switching the oxidant from TBHP to benzoyl peroxide under identical reaction conditions effects ortho-oxygenation.

Sodium halides as halogenating reagents: Rhodium(III)-catalyzed versatile and practical halogenation of aryl compounds

Zhang, Panpan,Hong, Liang,Li, Guofeng,Wang, Rui

supporting information, p. 345 - 349 (2015/02/19)

We report a concise, versatile and practical method for the ortho-chlorination, ortho-bromination and ortho -iodination of aryl compounds. The significant advantage of this transformation is the creation of the carbon-halogen bond by use of readily available and cheap halide salts as formal nucleoACHTUNGTRENUNGphilic halogenating reagents under mild reaction conditions.

Copper-catalyzed aromatic C-H bond halogenation using lithium halides as halogenating reagents

Lu, Yongzhong,Wang, Ruiping,Qiao, Xixue,Shen, Zengming

supporting information; experimental part, p. 1038 - 1042 (2011/06/19)

The copper-catalyzed C-H halogenation of 2-aryl-pyridines containing a variety of electron-withdrawing and electron-donating substituents was described. It is worth noting that cheap and easy-to-handle lithium halides were utilized as the halogen sources. Georg Thieme Verlag Stuttgart · New York.

Efficient and practical one-pot conversions of n- tosyltetrahydroisoquinolines into isoquinolines and of N-tosyltetrahydro-β- carbolines into β-carbolines through tandem β-elimination and aromatization

Dong, Jing,Shi, Xiao-Xin,Yan, Jing-Jing,Xing, Jing,Zhang, Qiang,Xiao, Sen

experimental part, p. 6987 - 6992 (2011/02/24)

An efficient, practical, and general method for conversions of N-tosyltetrahydroisoquinolines (N-tosyl-THIQs) into isoquinolines and of N-tosyltetrahydro-β-carbolines (N-tosyl-THBCs) into β-carbolines is described. Treatment of N-tosyl-THIQs or N-tosyl-THBCs with base in dimethyl sulfoxide afforded dihydroisoquinolines or dihydro-β-carbolines as intermediates, and these were then oxidized in situ by molecular oxygen to furnish isoquinolines or β-carbolines in good to high yields. Both one-pot conversions occurred through tandem β-elimination and aromatization. An efficient method for conversions ofN-tosyltetrahydroisoquinolines (N-tosyl-THIQs) and N-tosyltetrahydro-β-carbolines (N-tosyl-THBCs) into isoquinolines and β-carbolines is described. Treatment ofN-tosyl-THIQs or N-tosyl-THBCs with base affords dihydroisoquinolines or dihydro-β- carbolines. These can be oxidized in situ by molecular oxygen to furnish isoquinolines or β-carbolines. Copyright

Scope and selectivity in palladium-catalyzed directed C-H bond halogenation reactions

Kalyani, Dipannita,Dick, Allison R.,Anani, Waseem Q.,Sanford, Melanie S.

, p. 11483 - 11498 (2007/10/03)

Palladium-catalyzed ligand directed C-H activation/halogenation reactions have been extensively explored. Both the nature of the?directing group and the substitution pattern on the arene ring of the substrate lead to different reactivity profiles, and often different and complementary products, in the presence and absence of the catalyst.

A simple catalytic method for the regioselective halogenation of arenes

Kalyani, Dipannita,Dick, Allison R.,Anani, Waseem Q.,Sanford, Melanie S.

, p. 2523 - 2526 (2007/10/03)

This paper describes a mild palladium-catalyzed method for the regioselective chlorination, bromination, and iodination of arene C-H bonds using N-halosuccinimides as oxidants. These transformations have been applied to a wide array of substrates and can provide products that are complementary to those obtained via conventional electrophilic aromatic substitution reactions.

Synthetic approaches to 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid

Janin, Yves L.,Roulland, Emmanuel,Beurdeley-Thomas, Arnaud,Decaudin, Didier,Monneret, Claude,Poupon, Marie-France

, p. 529 - 532 (2007/10/03)

In connection with our research of new antitumor compounds, previously undescribed approaches to the 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid 9 are reported here. Two related accesses from phenylethylamine or amphetamine were investigated and were found to be successful. A more robust synthesis, using Suzuki's cross-coupling between 2-chlorophenylboronic acid 15 and the previously unreported methyl-1-bromoisoquinoline-3-carboxylate 14 was also developed. This synthetic route provides the ground for a combinatorial approach to the core structure of new potential peripheral benzodiazepine receptor ligands.

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