(4-Methoxyphenyl)dimethylsilanol - ≥95% , CAS No.22868-26-4

CAS: 22868-26-4 Cat. No.: M356947 Molecular Weight: 182.29

GRADE & PURITY ≥95%

Synonyms

MFCD08276887 | DTXSID30446018 | (4-Methoxyphenyl)dimethylsilanol | SCHEMBL2176392 | (4-Methoxyphenyl)dimethylsilanol,96% | (p-Methoxyphenyl)dimethylsilanol | hydroxy-(4-methoxyphenyl)-dimethylsilane | (4-METHOXYPHENYL)DIMETHYLSILANOL, 96% | Dimethyl(4-met

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Overview

Application

(4-Methoxyphenyl)dimethylsilanol can be used:

As a starting material in the Pd-catalyzed cross-coupling reactions with various aryl halides to obtain biaryl compounds using Cs2CO3 base.

As a starting material to prepare potassium (4-methoxyphenyl)dimethylsilanolate, which in turn is used to synthesize biaryl derivatives by reacting with aryl bromides.

As a co-catalyst along with Mo(CO)6 applicable in the 4-decyne metathesis.

Specifications

Synonyms

MFCD08276887 | DTXSID30446018 | (4-Methoxyphenyl)dimethylsilanol | SCHEMBL2176392 | (4-Methoxyphenyl)dimethylsilanol, 96% | (p-Methoxyphenyl)dimethylsilanol | hydroxy-(4-methoxyphenyl)-dimethylsilane | (4-METHOXYPHENYL)DIMETHYLSILANOL, 96% | Dimethyl(4-met

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: COC1=CC=C(C=C1)[Si](C)(C)O
• IUPAC Name: hydroxy-(4-methoxyphenyl)-dimethylsilane
• InChIKey: DDLYKNBMTGBOQY-UHFFFAOYSA-N
• INCHI: 1S/C9H14O2Si/c1-11-8-4-6-9(7-5-8)12(2,3)10/h4-7,10H,1-3H3
• Isomeric SMILES: COC1=CC=C(C=C1)[Si](C)(C)O
• Molecular Weight: 182.29
• Reaxy-Rn: 2829718
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2829718&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkylarylsilanes Alkyl aryl ethers Silanols Organoheterosilanes Organic metalloid salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Alkylarylsilane - Monocyclic benzene moiety - Organoheterosilane - Organic metalloid salt - Silanol - Ether - Organic oxygen compound - Organic metalloid moeity - Organooxygen compound - Organosilicon compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Chemical and Physical Properties

• Refractive Index: n20/D 1.522
• Molecular Weight: 182.290 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 182.076 Da
• Monoisotopic Mass: 182.076 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 139.000
• 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

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