Methyl 3,5-dimethoxy-4-hydroxybenzoate - ≥98% , CAS No.884-35-5

CAS: 884-35-5 Cat. No.: M334230 Fórmula: C₁₀H₁₂O₅ Peso molecular: 212.2 Número EC: 618-163-7

GRADE & PURITY ≥98%

Synonyms

M2806 | MFCD00017199 | Syringic acid monomethyl ester | UNII-W5A196MP8A | Fenaluz Turquoise G | SBB016976 | SY032894 | CHEBI:45820 | HMS3886A03 | DTXSID00237016 | TH 287 | NSC-611398 | methyl (4-hydroxy-3,5-dimethoxy)benzoate | NOVOPRIME F 258 | AI3-36426

Storage

Room temperature

Shipped In

Normal

Descripción general

application：

The scheme of laccase-catalysed iodide oxidation includes stadium of MS interaction with oxidized laccase with concomitant production of MS(ox). Thereaction of MS(ox) with iodide produced triiodide.

Specifications

Sinónimos

M2806 | MFCD00017199 | Syringic acid monomethyl ester | UNII-W5A196MP8A | Fenaluz Turquoise G | SBB016976 | SY032894 | CHEBI:45820 | HMS3886A03 | DTXSID00237016 | TH 287 | NSC-611398 | methyl (4-hydroxy-3,5-dimethoxy)benzoate | NOVOPRIME F 258 | AI3-36426

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

ACTIVATOR

Pureza

≥98%

Propiedades del producto

pKa

pKₐ: 8.38 (Predicted)

Nombres e identificadores

Pubchem Sid

488184493

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184493

Sonrisas canónicas

COC1=CC(=CC(=C1O)OC)C(=O)OC

IUPAC Name

methyl 4-hydroxy-3,5-dimethoxybenzoate

InChIKey

ZMXJAEGJWHJMGX-UHFFFAOYSA-N

INCHI

1S/C10H12O5/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3

Isómeros SMILES

COC1=CC(=CC(=C1O)OC)C(=O)OC

Peso molecular

212.2

Reaxy-Rn

2217524

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2217524&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Gallic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives
• Direct Parent: Gallic acid and derivatives
• Alternative Parents: p-Hydroxybenzoic acid alkyl esters M-methoxybenzoic acids and derivatives Methoxyphenols Dimethoxybenzenes Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Benzoate ester - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzoyl - Alkyl aryl ether - Phenol - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
• External Descriptors: phenols - dimethoxybenzene - benzoate ester

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in alcohol, ether, slightly soluble in water.
• Índice de refracción: n20D1.53 (Predicted)
• Punto de ebullición (°C): ~339.9° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 103-107° C
• Peso molecular: 212.200 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 212.068 Da
• Monoisotopic Mass: 212.068 Da
• Topological Polar Surface Area: 65.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 204.000
• 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