Methyl 3,5-dimethoxy-4-hydroxybenzoate - 10mM in DMSO , CAS No.884-35-5

CAS: 884-35-5 Cat. No.: M426678 Fórmula: C₁₀H₁₂O₅ Peso molecular: 212.2 Número CE: 618-163-7

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

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

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

ACTIVATOR

Propriedades do produto

pKa

pKₐ: 8.38 (Predicted)

Nomes e identificadores

Pubchem Sid

528758017

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Gallic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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 ação

Propriedades químicas e físicas

• Índice de refração: n20D1.53 (Predicted)
• Ponto de ebulição (°C): ~339.9° C at 760 mmHg (Predicted)
• Ponto de fusão (°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