5-Methoxypiperonal - ≥98% , CAS No.5780-07-4

CAS: 5780-07-4 Cat. No.: M331390 Formula: C₉H₈O₄ Peso molecolare: 180.16 Numero EC: 227-304-8

GRADE & PURITY ≥98%

Synonyms

AS-57202 | 7-methoxy-1,3-benzodioxole-5-carboxaldehyde | STK667579 | 7-METHYOXY-1,3-BENZODIOXOLE-5-CARBOXALDEHYDE | 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy- | 7-methoxy-2H-1,3-benzodioxole-5-carbaldehyde | EINECS 227-304-8 | A923092 | SCHEMBL1418594

Storage

Argon charged,Room temperature

Shipped In

Normal

Panoramica

Product Application:

5-Methoxypiperonal is used in the synthesis of oxazole combretastatin A-4 analogs showing anti-tumor activity. It is also used in the synthesis of endothelin-A antagonist ABT-546, and further in the synthesis of antidepressant rolipram.

Specifications

Sinonimi

AS-57202 | 7-methoxy-1,3-benzodioxole-5-carboxaldehyde | STK667579 | 7-METHYOXY-1,3-BENZODIOXOLE-5-CARBOXALDEHYDE | 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy- | 7-methoxy-2H-1,3-benzodioxole-5-carbaldehyde | EINECS 227-304-8 | A923092 | SCHEMBL1418594

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488182733
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182733
• Sorrisi canonici: COC1=CC(=CC2=C1OCO2)C=O
• IUPAC Name: 7-methoxy-1,3-benzodioxole-5-carbaldehyde
• InChIKey: LOFRBHZYZCIOJO-UHFFFAOYSA-N
• INCHI: 1S/C9H8O4/c1-11-7-2-6(4-10)3-8-9(7)13-5-12-8/h2-4H,5H2,1H3
• Isomeri SMILES: COC1=CC(=CC2=C1OCO2)C=O
• Peso molecolare: 180.16
• Reaxy-Rn: 384077
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=384077&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: Anisoles Aryl-aldehydes Alkyl aryl ethers Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Anisole - Aryl-aldehyde - Alkyl aryl ether - Benzenoid - Oxacycle - Ether - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (non umani)

Hepatitis B virus (7925 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Sensibilità: Air sensitive
• Peso molecolare: 180.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 180.042 Da
• Monoisotopic Mass: 180.042 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 194.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5780-07-4, the molecular formula is C9H8O4, and the molecular weight is 180.16 g/mol. InChIKey LOFRBHZYZCIOJO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.