1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline

C20H21NO4

CAS58-74-2
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
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Identification

CAS Number
58-74-2
EC Number
200-397-2
UN Number
1544
Index Number
614-018-00-7
PubChem CID
4680

Physical-chemical properties

Molecular Formula
C20H21NO4
Molar Mass
339.40 g/mol
IUPAC Name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline

Chemical Identifiers

InChI
InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
InChI Key
XQYZDYMELSJDRZ-UHFFFAOYSA-N

Overview

1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (CAS 58-74-2) is an isoquinoline alkaloid derivative with methoxy functional groups providing distinctive pharmacological properties. This specialized organic compound, registered under EC number 200-397-2, represents a significant member of the isoquinoline alkaloid family with a molecular formula of C20H21NO4 and molecular weight of 339.4 g/mol. The compound features a complex structure incorporating both isoquinoline and benzyl moieties, each substituted with methoxy groups that contribute to its unique chemical behavior and biological activity profile. From a safety perspective, this substance is classified under the Globally Harmonized System as Acute Toxicity Category 4, requiring appropriate handling precautions indicated by the GHS07 pictogram and "Warning" signal word. Transportation regulations classify it under ADR Class 6.1, reflecting its toxic properties and necessitating specialized logistics protocols for safe distribution. The compound's structural complexity, featuring multiple methoxy substituents, distinguishes it from simpler aromatic compounds like benzaldehyde, though both share certain electrophilic characteristics. Unlike basic phosphate esters such as triethyl phosphate, this isoquinoline derivative exhibits significantly different solubility and reactivity patterns due to its heterocyclic nitrogen-containing framework. Industrial applications primarily focus on pharmaceutical intermediate synthesis, where its unique structural features serve as building blocks for more complex therapeutic compounds. The compound also finds utility in specialized research applications and analytical chemistry as a reference standard. Additionally, it serves specific roles in organic synthesis where isoquinoline scaffolds are required. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for European industrial customers requiring high-quality isoquinoline derivatives.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number1544
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NamePapaverin
Marine PollutantNo

Frequently Asked Questions

What is 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline?

1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline is an organic compound with the molecular formula C20H21NO4 and CAS number 58-74-2. This isoquinoline derivative features multiple methoxy substituents on both the phenyl and isoquinoline rings. With a molecular weight of 339.4 g/mol, it belongs to the class of alkaloid-like compounds and is classified as Acute Tox. 4 under GHS regulations, requiring careful handling procedures.

What are the physicochemical properties of 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline?

1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline is a solid organic compound at room temperature with a molecular weight of 339.4 g/mol. The presence of multiple methoxy groups influences its solubility properties, typically showing better solubility in organic solvents than in water. The compound's stability and exact physical characteristics like melting point and appearance may vary depending on purity and crystalline form.

What is 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline used for?

1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline serves primarily as a research chemical and pharmaceutical intermediate. Its isoquinoline structure makes it valuable in medicinal chemistry research and synthetic organic chemistry applications. The compound may be used in the development of bioactive molecules or as a building block for more complex pharmaceutical compounds, particularly in academic and industrial research settings.

How to safely handle 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline?

Safe handling requires appropriate personal protective equipment including safety glasses, gloves, and lab coats due to its Acute Tox. 4 classification. Work should be conducted in well-ventilated areas or under fume hoods to minimize inhalation exposure. Avoid direct skin contact and ingestion. The GHS07 pictogram indicates potential health hazards, so follow standard laboratory safety protocols and ensure proper training before handling this substance.

How to properly store 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline?

Store 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline in a cool, dry place away from direct sunlight and heat sources. Keep containers tightly sealed to prevent moisture absorption and contamination. Due to its toxicity classification, store in a designated area with restricted access. Ensure adequate ventilation in storage areas and maintain appropriate labeling according to GHS requirements including the Warning signal word and GHS07 pictogram.

What to do in case of contact with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline?

In case of skin contact, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with clean water for at least 15 minutes. If ingested, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures and contact emergency services if symptoms develop.

How to properly dispose of 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline?

Disposal must comply with local and national hazardous waste regulations due to its Acute Tox. 4 classification. Do not dispose of in regular waste streams or pour down drains. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Small laboratory quantities may require incineration at authorized facilities. Always consult local environmental authorities and follow institutional waste management protocols for toxic substances.

How to transport 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline?

Transportation falls under ADR Class 6.1 (toxic substances), Packing Group III regulations. This requires appropriate hazardous goods packaging, labeling, and documentation for road transport within Europe. Shipments must comply with dangerous goods regulations including proper marking, placarding, and driver certification requirements. Professional carriers experienced in handling toxic chemicals should be used to ensure regulatory compliance and safe delivery.

Is 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline subject to specific regulations?

The compound is subject to standard REACH registration requirements for chemical substances in the European Union and must comply with CLP regulation for classification and labeling. It is not currently listed as a Substance of Very High Concern (SVHC). Users must ensure proper risk assessments, safety data sheet availability, and compliance with occupational health regulations due to its Acute Tox. 4 classification.

Where to buy 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline in Europe?

OYSI serves as a reliable European distributor for 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline, providing quality chemical products to research institutions and industrial customers. As a specialized chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for hazardous substances. Contact OYSI directly for availability, specifications, and ordering information for this research chemical compound.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.