40134-07-4

Basic information

• Product Name: Isoquinoline, 7-methoxy-3-methyl- (9CI)
• Synonyms: Isoquinoline, 7-methoxy-3-methyl- (9CI);7-Methoxy-3-Methylisoquinoline;3-Methyl-7-methoxyisoquinoline
• CAS NO: 40134-07-4
• Molecular Formula: C11H11NO
• Molecular Weight: 173.21114
• Product Categories: ISOQUINOLINE
• Mol File: 40134-07-4.mol

Chemical Properties

• Boiling Point: 301.1°Cat760mmHg
• Flash Point: 110.4°C
• Appearance: /
• Density: 1.102g/cm³
• Vapor Pressure: 0.00192mmHg at 25°C
• Refractive Index: 1.599
• Storage Temp.: 2-8°C
• CAS DataBase Reference: Isoquinoline, 7-methoxy-3-methyl- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Isoquinoline, 7-methoxy-3-methyl- (9CI)(40134-07-4)
• EPA Substance Registry System: Isoquinoline, 7-methoxy-3-methyl- (9CI)(40134-07-4)

Safety Data

• Hazardous Substances Data: 40134-07-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research and Drug Development:
Isoquinoline, 7-methoxy-3-methyl(9CI) is employed as a compound with potential biological activities, specifically for its antimicrobial and antifungal properties. It serves as a valuable asset in the discovery and development of new pharmaceutical agents targeting various infections and diseases.
Used in Organic Chemistry:
Isoquinoline, 7-methoxy-3-methyl(9CI) is utilized as a building block in the synthesis of various organic compounds. Its unique structure and functional groups make it a versatile component in the creation of diverse chemical entities for research and industrial applications.
Used as a Reagent or Intermediate in Chemical Reactions:
In the field of organic chemistry, Isoquinoline, 7-methoxy-3-methyl(9CI) may also find use as a reagent or intermediate in various chemical reactions. Its presence can facilitate or enhance the synthesis of target compounds, contributing to the advancement of chemical processes and methodologies.

InChI:InChI=1/C11H11NO/c1-8-5-9-3-4-11(13-2)6-10(9)7-12-8/h3-7H,1-2H3

Upstream product

• 591-87-7 Allyl acetate 
• 1393451-05-2 C₁₁H₁₃NO 
• 83903-87-1 1,1-dimethoxy-N-(3-methoxybenzyl)propan-2-amine 
• 5071-96-5 3-METHOXYBENZYLAMINE 
• 90908-99-9 (3-methoxy)-benzyliminoacetal 
• 116734-02-2 N-(3-methoxy)benzyl-α-methylaminoacetal 

Downstream Products

• 63485-73-4 3-methyl-isoquinolin-7-ol 
• 1266118-71-1 7-(trans-4-tert-butylcyclohexyloxy)-3-methylisoquinoline 
• 1266118-73-3 7-(trans-4-tert-butylcyclohexyloxy)isoquinoline-3-carbaldehyde 
• 1393449-27-8 1-[7-(trans-4-tert-butylcyclohexyloxy)isoquinolin-3-ylmethyl]piperidine-4-carboxylic acid ethyl ester 

Relevant articles and documents

Palladium-Catalyzed Isoquinoline Synthesis by Tandem C-H Allylation and Oxidative Cyclization of Benzylamines with Allyl Acetate

A novel approach to synthesize 3-methylisoquinolines via a one-pot, two-step, palladium(II)-catalyzed tandem C-H allylation/intermolecular amination and aromatization is reported. A wide series of 3-methylisoquinoline derivatives were obtained directly using this method in moderate to good yields, and we highlight the synthetic importance of this new transformation.

Preparation method of isoquinoline compound

The invention discloses a preparation method of isoquinoline compounds, benzylamine protected by oxamide and allyl acetate are used as raw materials, a series of isoquinoline compounds are obtained through a cascade reaction of C-H bond functionalization and hydrolysis and two-step one-pot synthesis, and the used raw materials are simple and easy to obtain, reaction conditions are mild, and post-treatment is simple.

S1P MODULATING AGENTS

Compounds of formula (I) or (II) can modulate the activity of SIP receptors.

A One-Pot Isoquinoline Synthesis by Cyclodehydrogenation of N-Benzyl-α-alkylaminoacetals with Chlorosulfonic Acid: Formation of 3-Alkylisoquinolines

A direct preparation of fully aromatized 3-alkylisoquinolines (3e-p), was achieved by cyclodehydrogenation with chlorosulfonic acid of N-benzyl-α-alkylaminoacetals (2e-p) which were prepared by addition of Grignard reagent to N-benzyliminoacetals (1a-d). Keywords --- N-benzyl-α-alkylaminoacetal; N-(3,4-dimethoxybenzyl)-α-alkylaminoacetal; N-(3-methoxybenzyl)-α-alkylaminoacetal; N-(4-methylbenzyl)-α-alkylaminoacetal; alkyl halide; 3-alkylisoquinoline; benzyliminoacetal; chlorosulfonic acid