Cas no 247186-56-7 (tert-Butyl 3-formylbenzoate)

Technical Introduction: tert-Butyl 3-formylbenzoate tert-Butyl 3-formylbenzoate is a versatile aromatic ester featuring a formyl functional group at the meta position of the benzoate ring. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The tert-butyl ester group enhances stability, facilitating handling and storage, while the formyl moiety offers reactivity for further derivatization, such as condensation or reduction reactions. Its well-defined structure and high purity make it suitable for precise synthetic applications. The compound is typically used under controlled conditions to ensure optimal performance in multi-step synthetic routes.
tert-Butyl 3-formylbenzoate structure
tert-Butyl 3-formylbenzoate structure
Product Name:tert-Butyl 3-formylbenzoate
CAS No:247186-56-7
MF:C12H14O3
MW:206.237763881683
MDL:MFCD02180885
CID:1078304
PubChem ID:10845940
Update Time:2025-06-10

tert-Butyl 3-formylbenzoate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 3-formylbenzoate
    • 3-(Tert-butoxycarbonyl)benzaldehyde
    • SY148437
    • Z1509593601
    • AKOS015837458
    • 247186-56-7
    • XJA18656
    • DB-067253
    • D94622
    • EN300-127121
    • DTXSID90445709
    • AS-5105
    • CS-0154845
    • Tert-butyl3-formylbenzoate
    • MFCD02180885
    • SCHEMBL895414
    • Benzoic acid, 3-formyl-, 1,1-dimethylethyl ester
    • GGPVOXVKIVXELX-UHFFFAOYSA-N
    • MDL: MFCD02180885
    • Inchi: 1S/C12H14O3/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h4-8H,1-3H3
    • InChI Key: GGPVOXVKIVXELX-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=C(C=O)C=1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 206.09432
  • Monoisotopic Mass: 206.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • 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
  • XLogP3: 2.2
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 304.6±25.0 °C at 760 mmHg
  • Flash Point: 131.6±23.2 °C
  • PSA: 43.37
  • LogP: 2.45440
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

tert-Butyl 3-formylbenzoate Security Information

tert-Butyl 3-formylbenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
T35600-100mg
tert-Butyl 3-formylbenzoate
247186-56-7 96%
100mg
¥165.0 2024-07-18
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
T35600-250mg
tert-Butyl 3-formylbenzoate
247186-56-7 96%
250mg
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SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
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tert-Butyl 3-formylbenzoate
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¥812.0 2024-07-18
TRC
B745423-5mg
tert-Butyl 3-formylbenzoate
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5mg
$ 50.00 2022-06-06
TRC
B745423-10mg
tert-Butyl 3-formylbenzoate
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$ 65.00 2022-06-06
TRC
B745423-50mg
tert-Butyl 3-formylbenzoate
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$ 95.00 2022-06-06
Alichem
A019096930-5g
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$557.44 2023-09-02
Alichem
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tert-Butyl 3-formylbenzoate
247186-56-7 95%
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$779.88 2023-09-02
Alichem
A019096930-25g
tert-Butyl 3-formylbenzoate
247186-56-7 95%
25g
$1323.92 2023-09-02
abcr
AB303076-1 g
tert-Butyl 3-formylbenzoate, 90%; .
247186-56-7 90%
1g
€252.10 2023-04-26

Additional information on tert-Butyl 3-formylbenzoate

tert-Butyl 3-formylbenzoate (CAS No. 247186-56-7): A Comprehensive Overview

tert-Butyl 3-formylbenzoate (CAS No. 247186-56-7) is a versatile organic compound that has garnered significant attention in the fields of organic synthesis, pharmaceuticals, and materials science. This compound, also known as 3-formylbenzoic acid tert-butyl ester, is a derivative of benzoic acid with a formyl group at the meta position and a tert-butyl ester group. Its unique structure endows it with intriguing chemical properties and opens up avenues for its application in various industries.

The synthesis of tert-butyl 3-formylbenzoate typically involves the esterification of 3-formylbenzoic acid with tert-butanol under acidic or enzymatic conditions. This reaction is highly efficient and can be optimized to achieve high yields, making it suitable for large-scale production. The compound is stable under normal storage conditions and exhibits good solubility in organic solvents, which facilitates its use in various chemical reactions.

One of the most promising applications of tert-butyl 3-formylbenzoate lies in its role as an intermediate in the synthesis of bioactive molecules. Recent studies have highlighted its potential in the development of anti-inflammatory agents, antioxidants, and anticancer drugs. For instance, researchers have utilized this compound as a precursor for synthesizing heterocyclic compounds, which are known for their potent biological activities.

In the realm of materials science, tert-butyl 3-formylbenzoate has been explored as a building block for the synthesis of advanced polymers and coatings. Its ability to undergo various polymerization reactions makes it a valuable component in the development of high-performance materials with tailored properties. Additionally, this compound has shown potential in the formulation of eco-friendly adhesives and sealants, contributing to sustainable industrial practices.

The formylation group in tert-butyl 3-formylbenzoate plays a crucial role in its reactivity and functionality. This group allows for selective transformations, such as oxidation or reduction reactions, enabling the creation of diverse chemical structures. Recent advancements in catalytic chemistry have further enhanced the utility of this compound by enabling more efficient and selective transformations.

From an environmental perspective, tert-butyl 3-formylbenzoate demonstrates biodegradability under specific conditions, making it a more eco-friendly option compared to some traditional organic compounds. Its low toxicity profile also aligns with current trends toward greener chemical processes.

In conclusion, tert-butyl 3-formylbenzoate (CAS No. 247186-56-7) is a multifaceted compound with vast potential across various industries. Its unique chemical properties, coupled with recent advancements in synthetic methodologies and application development, position it as a key player in modern organic chemistry.

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