(2,5-Dimethoxyphenyl)methanol - ≥98% , CAS No.33524-31-1

CAS: 33524-31-1 Cat. No.: D588765 Peso molecular: 168.19 Beilstein Registry Number: 1947607 Número EC: 251-562-0

GRADE & PURITY ≥98%

Synonyms

EN300-21707 | SY283768 | BS-42237 | SCHEMBL487944 | EINECS 251-562-0 | AKOS000121223 | MFCD00004615 | Z104509944 | InChI=1/C9H12O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5,10H,6H2,1-2H3 | Benzenemethanol, 2,5-dimethoxy- | J-019235 | 1-(Hydroxymethyl)-2,5-dimeth

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Descripción general

Product Application:

2,5-Dimethoxybenzyl alcohol was used as starting reagent in the synthesis of [(S)S]-3,6-dimethoxy-2-(p-tolylsulfinyl)-benzaldehyde. It was used in the synthesis of daunornycinone. It was also used in the preparation of pillar[n]arenes (n = 5 or 6) via cyclooligomerization reaction with an appropriate Lewis acid catalyst.

Specifications

Sinónimos

EN300-21707 | SY283768 | BS-42237 | SCHEMBL487944 | EINECS 251-562-0 | AKOS000121223 | MFCD00004615 | Z104509944 | InChI=1/C9H12O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5, 10H, 6H2, 1-2H3 | Benzenemethanol, 2, 5-dimethoxy- | J-019235 | 1-(Hydroxymethyl)-2, 5-dimeth

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC(=C(C=C1)OC)CO
• IUPAC Name: (2,5-dimethoxyphenyl)methanol
• InChIKey: WGQMUABRZGUAOS-UHFFFAOYSA-N
• INCHI: 1S/C9H12O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5,10H,6H2,1-2H3
• Isómeros SMILES: COC1=CC(=C(C=C1)OC)CO
• WGK Alemania: 3
• Peso molecular: 168.19
• Beilstein: 1947607
• Reaxy-Rn: 1947607
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1947607&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Benzyl alcohols Anisoles Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Benzyl alcohol - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

Objetivos asociados (no humanos)

Trypanosoma cruzi (99888 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.547
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 122-125°C/1mmHg
• Peso molecular: 168.190 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.079 Da
• Monoisotopic Mass: 168.079 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 127.000
• 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