CAS 20850-49-1

2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile

Description:

2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile, with the CAS number 20850-49-1, is an organic compound characterized by its nitrile functional group and a complex aromatic structure. This compound features a 3,4-dimethoxyphenyl group, which contributes to its potential biological activity and solubility properties. The presence of the nitrile group (-C≡N) indicates that it may exhibit polar characteristics, influencing its reactivity and interactions in various chemical environments. The methyl group attached to the butane chain enhances its hydrophobic nature, which can affect its solubility in organic solvents. This compound may be of interest in medicinal chemistry and material science due to its structural features, which could lead to unique pharmacological properties or applications in synthesis. As with many organic compounds, its stability, reactivity, and potential applications can be influenced by factors such as temperature, pH, and the presence of other chemical species. Proper handling and safety measures should be observed when working with this substance in a laboratory setting.

Formula: C₁₃H₁₇NO₂

InChI: InChI=1S/C13H17NO2/c1-9(2)11(8-14)10-5-6-12(15-3)13(7-10)16-4/h5-7,9,11H,1-4H3

InChI key: InChIKey=NFXAXMOAVPLEBH-UHFFFAOYSA-N

SMILES: C(C(C)C)(C#N)C1=CC(OC)=C(OC)C=C1

Synonyms:

• (±)-2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile
• (±)-3,4-Dimethoxy-α-isopropylbenzeneacetonitrile
• 2-(3,4-Dimethoxy phenyl)-d-methylbutyronitrile
• 2-(3,4-Dimethoxy phenyl)-β-methylbutyronitrile
• 2-(3,4-Dimethoxyphenyl)-2-isopropylacetonitrile
• 2-(3,4-Dimethoxyphenyl)-3-Methyl Butyronitrile
• 3,4-Dimethoxy-α-(1-methylethyl)benzeneacetonitrile
• 3-Methyl-2-(3,4-dimethoxyphenyl)butyronitrile
• Benzeneacetonitrile, 3,4-dimethoxy-α-(1-methylethyl)-
• Butyronitrile, 2-(3,4-dimethoxyphenyl)-3-methyl-
• Isopropyl(3,4-dimethoxyphenyl)acetonitrile
• alpha-Isopropyl homoveratronitrile
• α-Isopropylhomoveratronitrile
• α-Isopropylveratryl cyanide

Benzeneacetonitrile, 3,4-dimethoxy-α-(1-methylethyl)-

CAS: 20850-49-1

Formula: C₁₃H₁₇NO₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 219.2796

Ref: IN-DA002JQF

Verapamil EP Impurity K

CAS: 20850-49-1

Formula: C₁₃H₁₇NO₂

Color and Shape: White To Off-White Solid

Molecular weight: 219.28

Ref: 4Z-V-0419

2-(3,4-Dimethoxy-phenyl)-3-methyl-butyronitrile

CAS: 20850-49-1

2-(3,4-Dimethoxy-phenyl)-3-methyl-butyronitrile

Formula: C₁₃H₁₇NO₂

Purity: 95%

Color and Shape: off-white low melting solid

Molecular weight: 219.28g/mol

Ref: 54-OR346216

(2RS)-2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile

Controlled Product

CAS: 20850-49-1

Formula: C₁₃H₁₇NO₂

Color and Shape: Neat

Molecular weight: 219.28

Ref: 86-MM0022.03

3,4-Dimethoxy-a-(1-methylethyl)benzeneacetonitrile

Controlled Product

CAS: 20850-49-1

Impurity Verapamil EP Impurity K
Applications (Verapamil EP Impurity K)

Formula: C₁₃H₁₇NO₂

Color and Shape: White To Light Green

Molecular weight: 219.28

Ref: TR-D474780

2-(3,4-Dimethoxy-phenyl)-3-methyl-butyronitrile

CAS: 20850-49-1

Formula: C₁₃H₁₇NO₂

Purity: 98%

Color and Shape: Solid, Low Melting Solid

Molecular weight: 219.284

Ref: 10-F317129

3,4-Dimethoxy-α-(1-methylethyl-d7)benzeneacetonitrile

Controlled Product

CAS: 20850-49-1

Applications 3,4-Dimethoxy-α-(1-methylethyl-d7)benzeneacetonitrile is the labeled analogue of 3,4-Dimethoxy-α-(1-methylethyl)benzeneacetonitrile (D474780), a reactant used in the synthesis of [11C]D617, a metabolite of (R)-[11C]verapamil that can enter the brain.
References Verbeek, J., et. al.: Nucl. Med. Biol., 39, 530 (2012)

Formula: C₁₃H₁₀D₇NO₂

Color and Shape: Neat

Molecular weight: 226.33

Ref: TR-D474782

3,4-Dimethoxy-a-(1-methylethyl)benzeneacetonitrile

CAS: 20850-49-1

3,4-Dimethoxy-a-(1-methylethyl)benzeneacetonitrile (DXM) is a synthetic phenylethylamine that is usually found in cough suppressant preparations. It has been shown to be able to cross the blood-brain barrier, and it has a constant, steady-state concentration. DXM is metabolized by N-demethylation in the liver by cytochrome P450 enzymes. This metabolism can be inhibited with the use of drugs such as chlorpromazine or ketoconazole. Pharmacokinetic modeling has been used to analyze and predict the pharmacokinetics of DXM. The drug DXM can also be synthesized from phenylacetonitrile and hydrochloric acid.

Formula: C₁₃H₁₇NO₂

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 219.28 g/mol

Ref: 3D-ID145567

Verapamil EP Impurity K

CAS: 20850-49-1

Formula: C₁₃H₁₇NO₂

Molecular weight: 219.38

Ref: ST-EA-CP-V10011