N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

C22H25NO6

CAS64-86-8
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
Danger

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Identification

CAS Number
64-86-8
EC Number
200-598-5
UN Number
1544
Index Number
614-005-00-6
PubChem CID
6167

Physical-chemical properties

Molecular Formula
C22H25NO6
Molar Mass
399.40 g/mol
IUPAC Name
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Chemical Identifiers

InChI
InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
InChI Key
IAKHMKGGTNLKSZ-INIZCTEOSA-N

Overview

N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide (CAS 64-86-8) is a complex polycyclic aromatic compound with tetramethoxy substitution and acetamide functionality. This sophisticated organic molecule belongs to the benzo[a]heptalene family and exhibits a unique structural arrangement featuring four methoxy groups, a ketone function, and an acetamide substituent. With a molecular formula of C22H25NO6 and molecular weight of 399.4 g/mol, this compound demonstrates significant structural complexity that distinguishes it from simpler aromatic compounds like chloromethylbenzene or N-methylaniline. The compound presents considerable safety concerns, classified under GHS as both a category 1B mutagen and acute toxicity category 2 substance. These hazard classifications require strict handling protocols and specialized safety equipment during processing and storage. The ADR classification 6.1 indicates its status as a toxic substance for transportation purposes, necessitating compliance with international dangerous goods regulations. Due to its sophisticated molecular architecture and specific stereochemistry at the 7S position, this compound finds applications in specialized pharmaceutical intermediate synthesis and advanced organic chemistry research. Its polycyclic structure makes it valuable for developing complex molecular frameworks in medicinal chemistry applications. The compound also serves as a research tool in studying structure-activity relationships within polycyclic aromatic systems. Industrial applications primarily focus on pharmaceutical intermediate production and specialized chemical synthesis where its unique structural features provide specific reactivity patterns. The acetamide functionality combined with the extended aromatic system offers distinctive chemical properties for targeted synthetic transformations. OYSI maintains this specialized compound in our technical chemicals portfolio, supporting European customers with reliable supply and comprehensive safety documentation for professional applications.

Safety & Classification

Danger
Classification:

Muta. 1B; Acute Tox. 2 *

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H340

May cause genetic defects.

H300

Fatal 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

Fatal

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 GroupI
Tunnel CodeC/E
Proper Shipping NameColchicin
Marine PollutantNo

Frequently Asked Questions

What is N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide?

N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is a complex organic compound with CAS number 64-86-8 and molecular formula C22H25NO6. This substance has a molecular weight of 399.4 g/mol and belongs to the benzoheptalene derivative family. It is classified as a highly hazardous chemical with mutagenic properties (Muta. 1B) and acute toxicity (Acute Tox. 2), requiring strict handling protocols and safety measures.

What are the physicochemical properties of N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide?

N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is an organic solid with a molecular weight of 399.4 g/mol. The compound contains multiple methoxy groups and an acetamide functionality, suggesting moderate polarity. Its complex benzoheptalene structure with four methoxy substituents likely influences its solubility characteristics. The presence of both polar (methoxy, acetamide) and aromatic regions indicates potential solubility in polar organic solvents.

What is N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide used for?

N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is primarily used in pharmaceutical research and specialized chemical synthesis applications. Due to its complex structure and high toxicity classification, its use is typically restricted to controlled laboratory environments and specific industrial processes requiring expert handling. The compound may serve as an intermediate in organic synthesis or as a research chemical for specialized pharmaceutical development projects.

How to handle N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide safely?

N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide requires maximum safety precautions due to its Acute Tox. 2 and Muta. 1B classifications. Essential protective equipment includes chemical-resistant gloves, full face protection, and respiratory protection. Work must be conducted in a well-ventilated area or fume hood. Avoid skin contact, inhalation, and ingestion completely. Use only in controlled laboratory environments with proper emergency procedures in place.

How to store N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide correctly?

N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide must be stored in a secure, controlled environment away from heat, light, and moisture. Keep containers tightly closed in a cool, dry, well-ventilated area with restricted access due to its high toxicity. Store separately from incompatible materials and ensure proper labeling with GHS08 and GHS06 pictograms. Regular inventory checks and proper containment measures are essential for this dangerous substance.

What to do in case of contact with N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide?

Immediate medical attention is required for any contact with N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide due to its Acute Tox. 2 classification. For skin contact, remove contaminated clothing and flush with water for at least 15 minutes. If inhaled, move to fresh air immediately. In case of eye contact, rinse thoroughly with water. Never induce vomiting if ingested. Contact poison control center and seek emergency medical care immediately while providing the safety data sheet.

How to dispose of N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide appropriately?

N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide requires disposal as hazardous waste through licensed waste management companies only. Due to its mutagenic properties (Muta. 1B) and acute toxicity, standard disposal methods are prohibited. Collection, transport, and disposal must comply with local and EU hazardous waste regulations. Never dispose of in regular waste streams, sewers, or environment. Maintain detailed disposal records and use only authorized hazardous waste disposal facilities.

How to transport N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide?

N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is classified as ADR Class 6.1 (toxic substances), Packing Group I, indicating maximum danger level for transport. Specialized hazardous goods packaging, labeling, and documentation are mandatory. Only qualified dangerous goods transporters may handle shipments. Proper UN identification, emergency response information, and compliance with international dangerous goods regulations are required. Temperature-controlled transport may be necessary depending on specific storage requirements.

Is N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide subject to specific regulations?

N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is subject to strict EU regulations under REACH and CLP due to its Muta. 1B and Acute Tox. 2 classifications. While not currently listed as SVHC, its mutagenic properties may trigger additional restrictions. Users must comply with occupational safety regulations, proper classification and labeling requirements, and may need authorization for certain uses. Regular safety assessments and risk management measures are mandatory.

Where to buy N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide in Europe?

N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is available through OYSI, a specialized European distributor of technical chemicals. Due to its high toxicity classification (Acute Tox. 2, Muta. 1B), purchase requires proper documentation, safety protocols, and compliance verification. OYSI provides comprehensive safety documentation, proper packaging, and regulatory support for this controlled substance. Contact OYSI directly for availability, technical specifications, and regulatory compliance assistance for European markets.

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N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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