Cas no 133073-81-1 (1-(Tert-Butyl)-3-ethoxybenzene)

1-(Tert-Butyl)-3-ethoxybenzene is a substituted aromatic compound featuring a tert-butyl group and an ethoxy substituent on the benzene ring. Its sterically hindered tert-butyl group enhances stability, while the ethoxy moiety contributes to solubility in organic solvents, making it useful in synthetic applications. This compound is often employed as an intermediate in organic synthesis, particularly in the preparation of fine chemicals, agrochemicals, and pharmaceuticals. Its well-defined structure and reactivity allow for selective functionalization, offering versatility in complex molecule construction. The tert-butyl group also provides steric control in reactions, improving regioselectivity. Suitable for controlled reactions, it is typically handled under standard laboratory conditions.
1-(Tert-Butyl)-3-ethoxybenzene structure
133073-81-1 structure
Product Name:1-(Tert-Butyl)-3-ethoxybenzene
CAS No:133073-81-1
MF:C12H18O
MW:178.270723819733
MDL:MFCD18642729
CID:835469
PubChem ID:20038873
Update Time:2025-06-25

1-(Tert-Butyl)-3-ethoxybenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-(1,1-dimethylethyl)-3-ethoxy-
    • 1-(tert-Butyl)-3-ethoxybenzene
    • 1-Ethoxy-3-(2-methyl-2-propanyl)benzene
    • 1-tert-butyl-3-ethoxybenzene
    • 3-tert-butylphenylethylether
    • 3029AH
    • ST24037691
    • 133073-81-1
    • CS-M0567
    • DB-363790
    • CS-13658
    • SCHEMBL5619009
    • AKOS006242568
    • 1-(Tert-Butyl)-3-ethoxybenzene
    • MDL: MFCD18642729
    • Inchi: 1S/C12H18O/c1-5-13-11-8-6-7-10(9-11)12(2,3)4/h6-9H,5H2,1-4H3
    • InChI Key: GPRQWDZTBQWUAT-UHFFFAOYSA-N
    • SMILES: O(CC)C1=CC=CC(=C1)C(C)(C)C

Computed Properties

  • Exact Mass: 178.135765193g/mol
  • Monoisotopic Mass: 178.135765193g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 146
  • 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
  • XLogP3: 3.7
  • Topological Polar Surface Area: 9.2

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1-(Tert-Butyl)-3-ethoxybenzene Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:133073-81-1)間叔丁基苯乙醚
Order Number:LE24979520
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:48
Price ($):discuss personally

Additional information on 1-(Tert-Butyl)-3-ethoxybenzene

Introduction to 1-(Tert-Butyl)-3-Ethoxybenzene (CAS No. 133073-81-1)

1-(Tert-Butyl)-3-Ethoxybenzene is a versatile aromatic compound with the CAS registry number 133073-81-1. This compound, also known as tert-butyl ethoxybenzene, belongs to the family of substituted benzene derivatives. Its structure consists of a benzene ring with two substituents: a tert-butyl group at the 1-position and an ethoxy group at the 3-position. This unique substitution pattern imparts distinct chemical and physical properties to the compound, making it valuable in various applications across different industries.

The synthesis of 1-(Tert-Butyl)-3-Ethoxybenzene typically involves nucleophilic aromatic substitution or Friedel-Crafts alkylation reactions. These methods allow for precise control over the substitution pattern on the benzene ring, ensuring the desired product is obtained with high purity. Recent advancements in catalytic systems and green chemistry have further optimized these synthesis routes, reducing environmental impact while maintaining high yields.

One of the key features of tert-butyl ethoxybenzene is its stability under normal conditions. The tert-butyl group is a bulky substituent that provides steric hindrance, which can influence the reactivity of the molecule. This steric effect is particularly useful in applications where selectivity is crucial, such as in pharmaceutical intermediates or advanced materials synthesis.

From a chemical standpoint, tert-butyl ethoxybenzene exhibits interesting electronic properties due to the electron-donating nature of both substituents. The ethoxy group donates electron density through resonance, while the tert-butyl group contributes through inductive effects. These combined effects can modulate the reactivity of the benzene ring, making it suitable for further functionalization in organic synthesis.

Recent studies have highlighted the potential of tert-butyl ethoxybenzene in drug discovery and development. Researchers have explored its role as a scaffold for designing bioactive molecules targeting various therapeutic areas, including cancer and inflammation. For instance, modifications to the substituents on the benzene ring have shown promise in enhancing bioavailability and potency of drug candidates.

In addition to pharmaceutical applications, tert-butyl ethoxybenzene finds utility in materials science. Its ability to form stable complexes with metal ions has been leveraged in designing novel coordination polymers and metal-organic frameworks (MOFs). These materials exhibit exceptional porosity and selectivity, making them ideal for gas storage and separation applications.

The environmental impact of tert-butyl ethoxybenzene has also been a subject of recent research. Studies indicate that it undergoes efficient biodegradation under aerobic conditions, reducing its persistence in aquatic environments. This makes it a more eco-friendly choice compared to other aromatic compounds with slower degradation rates.

In conclusion, tert-butyl ethoxybenzene (CAS No. 133073-81-1) is a multifaceted compound with a wide range of applications across diverse fields. Its unique structure, stability, and reactivity make it an invaluable tool in organic synthesis, drug discovery, and materials science. As research continues to uncover new potential uses for this compound, its significance in both academic and industrial settings is expected to grow further.

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:133073-81-1)間叔丁基苯乙醚
LE24979520
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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