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

CAS: 33524-31-1 Cat. No.: D588765 Formula: (CH₃O)₂C₆H₃CH₂OH Peso molecolare: 168.19 Beilstein Registry Number: 1947607 Numero 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508806456

Sorrisi canonici

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

Isomeri SMILES

COC1=CC(=C(C=C1)OC)CO

WGK Germania

3

Peso molecolare

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
    • Classe Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (non umani)

Trypanosoma cruzi (99888 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

• Indice di rifrazione: 1.547
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 122-125°C/1mmHg
• Peso molecolare: 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