Cas no 40230-92-0 (Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl]-)

Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl]- is a specialized aromatic compound featuring a methoxy group and a trimethylsilyl-protected ethynyl substituent. This structure makes it a valuable intermediate in organic synthesis, particularly in cross-coupling reactions and the construction of complex molecular frameworks. The trimethylsilyl (TMS) group enhances stability and facilitates controlled deprotection, while the ethynyl moiety enables further functionalization via Sonogashira or click chemistry. Its methoxy substituent also offers additional reactivity for electrophilic aromatic substitution or demethylation. This compound is useful in pharmaceutical, agrochemical, and materials science research, where precise functional group manipulation is required. Proper handling under inert conditions is recommended due to its moisture-sensitive nature.
Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl]- structure
40230-92-0 structure
Product Name:Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl]-
CAS No:40230-92-0
MF:C12H16OSi
MW:204.340344429016
CID:326695
PubChem ID:24880495
Update Time:2025-05-25

Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl]-
    • (3-METHOXYPHENYLETHYNYL)TRIMETHYLSILANE
    • 2-(3-methoxyphenyl)ethynyl-trimethylsilane
    • ((3-methoxyphenyl)ethynyl)trimethylsilane
    • (3-methoxy-phenylethynyl)-trimethyl-silane
    • [(3-methoxyphenyl)-ethynyl]-trimethylsilane
    • 3-(trimethylsilylethynyl)anisole
    • 3-methoxy-1-(trimethylsilylethynyl)benzene
    • 569321_ALDRICH
    • AC1N99GY
    • I14-45575
    • KB-207407
    • SureCN852844
    • trimethyl[(3-methoxyphenyl)ethynyl]silane
    • ((3-METHOXYPHENYL)ETHYNYL)-TRIMETHYLSIL&
    • QTRRBVKHHBFICK-UHFFFAOYSA-N
    • MFCD03701606
    • SCHEMBL852844
    • 40230-92-0
    • (3-methoxyphenyl)ethynyltrimethylsilane
    • Silane, [(3-methoxyphenyl)ethynyl]trimethyl-
    • AKOS015913336
    • (3-Methoxyphenylethynyl)trimethylsilane, 97%
    • DTXSID50402939
    • MDL: MFCD03701606
    • Inchi: 1S/C12H16OSi/c1-13-12-7-5-6-11(10-12)8-9-14(2,3)4/h5-7,10H,1-4H3
    • InChI Key: QTRRBVKHHBFICK-UHFFFAOYSA-N
    • SMILES: [Si](C#CC1C=CC=C(C=1)OC)(C)(C)C

Computed Properties

  • Exact Mass: 204.09700
  • Monoisotopic Mass: 204.097
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 240
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 9.2A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing

Experimental Properties

  • Density: 0.940?g/mL?at 25?°C(lit.)
  • Boiling Point: 65-70?°C/0.1?mmHg(lit.)
  • Flash Point: Fahrenheit: 134.6 ° f < br / > Celsius: 57 ° C < br / >
  • Refractive Index: n20/D 1.5360(lit.)
  • PSA: 9.23000
  • LogP: 2.92410

Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl]- Security Information

  • Symbol: GHS02
  • Signal Word:Warning
  • Hazard Statement: H226
  • Warning Statement: P264+P280+P305+P351+P338+P337+P313
  • Hazardous Material transportation number:UN 1993 3/PG 3
  • WGK Germany:3
  • Safety Instruction: H303+H313+H333
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl]- Customs Data

  • HS CODE:2931900090
  • Customs Data:

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl]- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
569321-5G
Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl]-
40230-92-0 97%
5G
¥783.95 2022-02-24
A2B Chem LLC
AF73052-1g
((3-METHOXYPHENYL)ETHYNYL)-TRIMETHYLSIL&
40230-92-0 97%
1g
$591.00 2024-04-20
A2B Chem LLC
AF73052-5g
((3-METHOXYPHENYL)ETHYNYL)-TRIMETHYLSIL&
40230-92-0 97%
5g
$782.00 2024-04-20
abcr
AB570736-1g
(3-Methoxy-phenylethynyl)-trimethyl-silane, 97%; .
40230-92-0 97%
1g
€774.40 2025-04-19
abcr
AB570736-5g
(3-Methoxy-phenylethynyl)-trimethyl-silane, 97%; .
40230-92-0 97%
5g
€1017.60 2025-04-19

Additional information on Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl]-

Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl]: A Comprehensive Overview

The compound with CAS No. 40230-92-0, commonly referred to as Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl], is a highly specialized organic molecule with unique structural and chemical properties. This compound has garnered significant attention in the fields of organic chemistry, materials science, and pharmaceutical research due to its versatile applications and intriguing molecular architecture. In this article, we delve into the structural characteristics, synthesis methods, and recent advancements in the utilization of this compound.

Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl] is a derivative of benzene, a fundamental aromatic hydrocarbon. The molecule features a methoxy group (-OCH?) at the 1-position and a substituted ethynyl group at the 3-position. The ethynyl group is further substituted with a trimethylsilyl (TMS) moiety, which imparts unique electronic and steric properties to the compound. The TMS group is known for its ability to stabilize reactive intermediates and enhance the reactivity of adjacent functional groups, making this compound particularly valuable in various chemical transformations.

Recent studies have highlighted the importance of Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl] in the synthesis of advanced materials. For instance, researchers have employed this compound as a precursor for constructing functional polymers and nanoparticles. The ethynyl group serves as a versatile building block for click chemistry reactions, enabling the creation of cross-linked networks with tailored mechanical and electronic properties. Moreover, the TMS group facilitates controlled polymerization processes by modulating reaction kinetics and thermodynamics.

In the realm of pharmaceutical chemistry, Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl] has been explored as an intermediate in drug discovery efforts. Its ability to undergo selective functionalization reactions makes it an ideal candidate for constructing bioactive molecules with complex architectures. For example, scientists have utilized this compound to synthesize potential anti-cancer agents by incorporating it into conjugated systems that target specific cellular pathways.

The synthesis of Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl] typically involves multi-step organic reactions. A common approach includes the Friedel-Crafts alkylation or acylation of benzene derivatives followed by subsequent substitution or coupling reactions to introduce the TMS-containing ethynyl group. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses of this compound, reducing production costs and minimizing waste generation.

From an environmental standpoint, Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl] exhibits favorable biodegradation characteristics under specific conditions. Studies have shown that its silylated groups can be cleaved under acidic or enzymatic conditions, leading to the formation of less complex byproducts that are more readily metabolized by microorganisms. This property is particularly advantageous for applications where eco-friendliness is a critical consideration.

In conclusion, Benzene,1-methoxy-3-[2-(trimethylsilyl)ethynyl] (CAS No. 40230-92-0) stands out as a pivotal molecule in modern organic chemistry due to its unique structure and diverse applications. Its role as a precursor in material synthesis and drug development underscores its significance in advancing scientific research across multiple disciplines. As ongoing studies continue to uncover new potential uses for this compound, its impact on various industries is expected to grow significantly in the coming years.

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