CAS 185259-36-3

4-tert-Butoxybenzonitrile

Description:

4-tert-Butoxybenzonitrile is an organic compound characterized by its aromatic structure, featuring a benzonitrile moiety with a tert-butoxy group attached to the para position of the benzene ring. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. It is known for its moderate solubility in organic solvents, such as ethanol and acetone, while being less soluble in water due to its hydrophobic tert-butoxy group. The presence of the nitrile functional group (-C≡N) imparts notable chemical reactivity, making it useful in various synthetic applications, including as an intermediate in organic synthesis. Additionally, 4-tert-Butoxybenzonitrile may exhibit specific physical properties such as a distinct melting point and boiling point, which are influenced by its molecular structure. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken due to potential toxicity or reactivity.

Formula: C₁₁H₁₃NO

InChI: InChI=1/C11H13NO/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,1-3H3

SMILES: CC(C)(C)Oc1ccc(cc1)C#N

4-TERT-BUTOXYBENZONITRILE

CAS: 185259-36-3

Formula: C₁₁H₁₃NO

Purity: 98%

Color and Shape: Solid

Molecular weight: 175.2270

Ref: IN-DA003M19

4-tert-Butoxybenzonitrile

CAS: 185259-36-3

4-tert-Butoxybenzonitrile

Purity: 95%

Molecular weight: 175.23g/mol

Ref: 54-OR916364

4-TERT-BUTOXYBENZONITRILE

CAS: 185259-36-3

Formula: C₁₁H₁₃NO

Purity: 98%

Color and Shape: Liquid

Molecular weight: 175.231

Ref: 10-F334046

4-tert-Butoxybenzonitrile

CAS: 185259-36-3

4-tert-Butoxybenzonitrile is an organocatalyst that can catalyze the transformation of aryl iodides to aryl radicals, which can then react with organic substrates. It is most often used as a catalyst for the synthesis of α-amino nitriles. 4-tert-Butoxybenzonitrile can be used in the presence of copper salts and N-methylmorpholine to catalyze the reaction of aryl iodides with alcohols. Mechanistic experiments have shown that 4-tert-butoxybenzonitrile operates by radical coupling, generating an alkyl radical intermediate that reacts with the substrate.

Formula: C₁₁H₁₃NO

Purity: Min. 95%

Molecular weight: 175.23 g/mol

Ref: 3D-KHA25936