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5,8-Dimethoxy-1,2,3,4-tetrhydroisoquinoline-3-carboxylic acid ethyl ester is a complex chemical compound characterized by a tetracyclic isoquinoline ring system. It features an ethyl ester group attached to the carboxylic acid and two methoxy groups at the 5 and 8 positions of the isoquinoline ring. This molecule possesses potential pharmacological properties and serves as a valuable starting material for the synthesis of other bioactive compounds. Its unique structure and properties make it a promising candidate for research and development in medicinal chemistry and drug discovery.

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  • 5,8-Dimethoxy-1,2,3,4-tetrhydro-isoquinoline-3-carboxylic acid ethyl ester

    Cas No: 198021-01-1

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  • 5,8-Dimethoxy-1,2,3,4-tetrhydroisoquinoline-3-carboxylic acid ethyl ester CAS NO.198021-01-1 CAS NO.198021-01-1

    Cas No: 198021-01-1

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  • 198021-01-1 Structure
  • Basic information

    1. Product Name: 5,8-Dimethoxy-1,2,3,4-tetrhydroisoquinoline-3-carboxylic acid ethyl ester
    2. Synonyms: Ethyl 5,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;5,8-DIMETHOXY-1,2,3,4-TETRHYDROISOQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER;REF DUPL: 5,8-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid ethyl ester;3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-5,8-dimethoxy-, ethyl ester
    3. CAS NO:198021-01-1
    4. Molecular Formula: C14H19NO4
    5. Molecular Weight: 265.3
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 198021-01-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 417.604 °C at 760 mmHg
    3. Flash Point: 206.359 °C
    4. Appearance: /
    5. Density: 1.132 g/cm3
    6. Vapor Pressure: 3.5E-07mmHg at 25°C
    7. Refractive Index: 1.515
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 5,8-Dimethoxy-1,2,3,4-tetrhydroisoquinoline-3-carboxylic acid ethyl ester(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5,8-Dimethoxy-1,2,3,4-tetrhydroisoquinoline-3-carboxylic acid ethyl ester(198021-01-1)
    12. EPA Substance Registry System: 5,8-Dimethoxy-1,2,3,4-tetrhydroisoquinoline-3-carboxylic acid ethyl ester(198021-01-1)
  • 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: 198021-01-1(Hazardous Substances Data)

198021-01-1 Usage

Uses

Used in Medicinal Chemistry Research:
5,8-Dimethoxy-1,2,3,4-tetrhydroisoquinoline-3-carboxylic acid ethyl ester is used as a research compound for exploring its pharmacological activity and potential therapeutic applications. Its unique structure allows for the investigation of its interactions with biological targets and the development of new drugs based on its molecular framework.
Used in Drug Discovery and Development:
In the pharmaceutical industry, 5,8-Dimethoxy-1,2,3,4-tetrhydroisoquinoline-3-carboxylic acid ethyl ester is used as a starting material for the synthesis of novel bioactive compounds. Its versatile chemical structure enables the design and synthesis of new drug candidates with potential therapeutic benefits.
Used in Chemical Synthesis:
5,8-Dimethoxy-1,2,3,4-tetrhydroisoquinoline-3-carboxylic acid ethyl ester is utilized as a key intermediate in the synthesis of various organic compounds and pharmaceuticals. Its functional groups, such as the carboxylic acid and methoxy groups, provide opportunities for further chemical modifications and the creation of diverse chemical libraries.
Used in Analytical Chemistry:
5,8-Dimethoxy-1,2,3,4-tetrhydroisoquinoline-3-carboxylic acid ethyl ester can be employed as a reference material or standard in analytical chemistry for the development and validation of analytical methods, such as high-performance liquid chromatography (HPLC), mass spectrometry, and nuclear magnetic resonance (NMR) spectroscopy. Its unique structure and properties make it suitable for assessing the performance of these analytical techniques.
Used in Material Science:
5,8-Dimethoxy-1,2,3,4-tetrhydroisoquinoline-3-carboxylic acid ethyl ester may also find applications in material science, particularly in the development of new organic materials with specific properties. Its structural features could contribute to the creation of novel materials with potential applications in various fields, such as electronics, sensors, and energy storage.

Check Digit Verification of cas no

The CAS Registry Mumber 198021-01-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,9,8,0,2 and 1 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 198021-01:
(8*1)+(7*9)+(6*8)+(5*0)+(4*2)+(3*1)+(2*0)+(1*1)=131
131 % 10 = 1
So 198021-01-1 is a valid CAS Registry Number.
InChI:InChI=1/C14H19NO4/c1-4-19-14(16)11-7-9-10(8-15-11)13(18-3)6-5-12(9)17-2/h5-6,11,15H,4,7-8H2,1-3H3

198021-01-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 5,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

1.2 Other means of identification

Product number -
Other names 5,8-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid ethyl ester

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:198021-01-1 SDS

198021-01-1Relevant articles and documents

Synthesis of hexahydropyrazino[1,2-b]isoquinolines as simplified saframycin analogues

Nguyen Van, Tuyen,Claes, Pieter,De Kimpe, Norbert

supporting information, p. 69 - 74 (2014/01/06)

Various hexahydropyrazino[1,2-b]isoquinolines were synthesised as simplified saframycin analogues. Construction of this core proceeded through a tetrahydroisoquinoline synthesis followed by acylation/alkylation of the tetrahydroisoquinoline nitrogen and subsequent ring closure using various aliphatic and aromatic amines. The resulting piperazinones were reacted with LiAlH4 or LiAlH(OEt)3 to synthesise further analogues. Georg Thieme Verlag Stuttgart · New York.

Electronically rich N-substituted tetrahydroisoquinoline 3-carboxylic acid esters: Concise synthesis and conformational studies

Al-Horani, Rami A.,Desai, Umesh R.

, p. 2027 - 2040 (2012/04/04)

Recent work in our laboratory has shown that the highly substituted, electronically rich 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (THIQ3CA) scaffold is a key building block for a novel class of promising anticoagulants.10 The synthesis

Synthesis of ethyl N-(diphenyl)methyl-1,2,3,4- tetrahydroisoquinoline-3-carboxylates

Mash, Eugene A.,Williams, Lawrence J.,Pfeiffer, Steven S.

, p. 6977 - 6980 (2007/10/03)

A concise method for the synthesis of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid derivatives from α,α'-dibromo-o-xylenes via sequential C-alkylation and N-alkylation of a glycine anion is described.

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