1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
C20H21NO4
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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 substituents and acute toxicity classification. This specialized isoquinoline compound represents a significant chemical intermediate in pharmaceutical and research applications. With the molecular formula C20H21NO4 and a molecular weight of 339.4 g/mol, this dimethoxy-substituted alkaloid exhibits distinctive structural characteristics that make it valuable for specific industrial processes. The compound is classified under EC number 200-397-2 and falls within the acute toxicity category 4, requiring careful handling protocols in professional environments. The substance features four methoxy groups positioned on both the phenyl and isoquinoline ring systems, contributing to its unique chemical behavior and reactivity profile. Safety considerations are paramount when working with this material, as indicated by the GHS07 pictogram and "Warning" signal word. The ADR classification 6.1 designates it as a toxic substance requiring specialized transportation and storage procedures. Primary industrial applications include pharmaceutical intermediate synthesis, where its isoquinoline backbone serves as a building block for more complex therapeutic compounds. Research laboratories utilize this chemical for alkaloid studies and medicinal chemistry investigations. Unlike simpler compounds such as benzaldehyde, this sophisticated alkaloid structure offers specific binding properties valuable in drug development processes. The compound also finds application in analytical chemistry as a reference standard and in organic synthesis for creating specialized pharmaceutical precursors. Its methoxy substitution pattern provides unique selectivity in various chemical transformations. OYSI maintains availability of 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline for qualified industrial customers across European markets, ensuring consistent supply for specialized applications.
Safety & Classification
Acute Tox. 4 *
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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 Number | 1544 |
| ADR Class | 6.1 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | Papaverin |
| Marine Pollutant | No |
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 groups and has a molecular weight of 339.4 g/mol. It belongs to the class of alkaloid compounds and is classified as Acute Tox. 4 under GHS regulations, indicating moderate acute toxicity potential.
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 compound at room temperature with a molecular weight of 339.4 g/mol. As an isoquinoline derivative containing multiple methoxy groups, it typically exhibits limited water solubility but better solubility in organic solvents. The compound's structure suggests it may appear as a crystalline solid, though specific color and odor characteristics depend 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 is primarily used in pharmaceutical research and development applications. This isoquinoline derivative serves as an intermediate in the synthesis of various bioactive compounds and may be utilized in medicinal chemistry studies. Its specific methoxy substitution pattern makes it valuable for structure-activity relationship studies and as a building block in complex organic synthesis protocols.
How to handle 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline safely?
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline requires careful handling due to its Acute Tox. 4 classification. Essential PPE includes nitrile gloves, safety goggles, and lab coats. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin and eye contact, and never eat, drink, or smoke while handling. Use appropriate analytical balances for weighing and ensure proper containment to prevent dust formation.
How to store 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline correctly?
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline should be stored in tightly sealed containers in a cool, dry place away from direct sunlight. Maintain storage temperatures between 2-8°C if possible to ensure stability. Keep away from incompatible materials such as strong oxidizers and acids. Store in designated chemical storage areas with appropriate ventilation and ensure containers are properly labeled with hazard information and expiration dates.
What to do in case of contact with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline?
Immediate action is required upon contact with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline. For skin contact, remove contaminated clothing and rinse affected areas with plenty of water for at least 15 minutes. In case of eye contact, flush immediately with water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention, providing the safety data sheet.
How to dispose of 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline appropriately?
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline must be disposed of as hazardous chemical waste due to its toxicity classification. Contact licensed hazardous waste disposal companies for proper collection and treatment. Never dispose of in regular trash, sewers, or drains. Small laboratory quantities should be collected in appropriate waste containers, properly labeled, and stored in designated waste collection areas until pickup by certified disposal services.
How to transport 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline?
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline is classified under ADR Class 6.1 (toxic substances), Packing Group III for transportation. This classification requires specific packaging standards, proper hazard labels, and documentation including transport documents. Shipments must comply with dangerous goods regulations, use UN-approved packaging, and be handled by trained personnel. Ground transport requires appropriate vehicle placarding and emergency response information.
Is 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline subject to special regulations?
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline is subject to standard REACH registration requirements in Europe and CLP classification as Acute Tox. 4. It is not currently listed as a Substance of Very High Concern (SVHC). Companies handling this substance must comply with workplace safety regulations, maintain safety data sheets, and follow proper risk assessment procedures. Import/export may require additional documentation depending on quantities and intended use.
Where to buy 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline in Europe?
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with proper documentation, safety data sheets, and regulatory compliance support. As a professional chemical distributor, OYSI ensures quality standards and can provide technical support for handling and application questions. Contact OYSI directly for availability, specifications, and ordering information for your research or industrial needs.
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1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.