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

CAS: 884-35-5 Cat. No.: M426678 Summenformel: C₁₀H₁₂O₅ Molekulargewicht: 212.2 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

ACTIVATOR

Produkteigenschaften

• pKa: pKₐ: 8.38 (Predicted)

Namen und Kennungen

• Pubchem Sid: 528758017
• Kanonisches Lächeln: 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
• Isomere SMILES: COC1=CC(=CC(=C1O)OC)C(=O)OC
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Hydroxybenzoic acid derivatives
          • Ebene6 Gallic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: n20D1.53 (Predicted)
• Siedepunkt (°C): ~339.9° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 103-107° C
• Molekulargewicht: 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