N-(4-Cyanophenyl)Glycine CASNO:42288-26-6

Physical properties:

N-(4-Cyanophenyl)glycine (CAS 42288-26-6) is an off-white to pale yellow solid, 𝐶9𝐻8𝑁2𝑂2

(MW: 176.17 g/mol), with a melting point of 237°C (dec.). It is primarily used as a pharmaceutical intermediate, particularly for Dabigatran and adrenergic compounds. It is harmful if swallowed, inhaled, or in contact with skin.

Key Properties and Specifications

  • Appearance: Off-white to pale yellow solid
  • Molecular Weight: 176.17 g/mol
  • Molecular Formula: 𝐶9𝐻8𝑁2𝑂2
  • Melting Point: 237°C (decomposition)
  • Density: 1.30±0.1 g/cm³ (predicted)
  • Boiling Point: 447.2±30.0 °C (predicted)
  • Solubility: Slightly soluble in DMSO, methanol, and dichloromethane
  • Storage: Store in a cool, dark place (often 2-8°C recommended)
  • Hazard Classification: Harmful (Acute Tox. 4, Skin Irrit. 2, Eye Irrit. 2)

 

Uses

  • Intermediate: Used in the synthesis of pharmaceuticals, including Dabigatran, and as a precursor for adrenergic agonists.
  • Research: Acts as a Glycine derivative.

Synonyms and Variations

  • 2-(4-Cyanophenylamino)acetic acid
  • [(4-Cyanophenyl)amino]acetic acid
  • 4-(((Carboxy)methyl)amino)benzonitrile
  • N-(p-Cyanophenyl)glycine
  • 4-Cyanophenylaminoacetic acid
  • 2-(4-cyanoanilino)acetic acid
  • Glycine, N-(4-cyanophenyl)-

Safety and Usage

  • Hazard Identification: Harmful if swallowed, in contact with skin, or if inhaled. It causes skin and serious eye irritation.
  • Applications: Used as a pharmaceutical intermediate.
  • Storage: Store at room temperature.

 

N-(4-Cyanophenyl)glycine (CAS 42288-26-6) is an aromatic amino acid derivative primarily used as a key pharmaceutical intermediate for synthesizing the anticoagulant drug Dabigatran etexilate. It functions as a, building block in organic synthesis and as an, impurity marker in, pharmaceutical research.

Key Uses and Applications

  • Pharmaceutical Intermediate: Primary application is in the production of Dabigatran etexilate, a direct thrombin inhibitor used to treat blood clot-related disorders.
  • Research & Development: Utilized in drug discovery and peptide chemistry as an unnatural amino acid derivative.
  • Chemical Synthesis: Used as a building block for various organic compounds and potentially for developing specialized materials with high oxidative stability.
  • Product Form: Appears as a white to off-white solid, often soluble in solvents like DMSO, methanol, and dichloromethane.

 

 

What is N-(4-Cyanophenyl) Glycine?
N-(4-Cyanophenyl) Glycine is an organic compound used as an intermediate in pharmaceutical and chemical synthesis.
What is the CAS number of N-(4-Cyanophenyl) Glycine?

The CAS number is 42288-26-6, which uniquely identifies this compound.

What are the main uses of N-(4-Cyanophenyl) Glycine?

It is widely used in pharmaceutical manufacturing, agrochemical production, and laboratory research.

What is the molecular formula of N-(4-Cyanophenyl) Glycine?

The molecular formula is C₉H₈N₂O₂.

Is N-(4-Cyanophenyl) Glycine safe to handle?
It should be handled with proper safety measures such as gloves, protective equipment, and adequate ventilation.
How should N-(4-Cyanophenyl) Glycine be stored?

Store in a cool, dry, and well-ventilated place in tightly closed containers, away from moisture and heat.

FAQs

What is N-(4-Cyanophenyl) Glycine?
N-(4-Cyanophenyl) Glycine is an organic compound used as an intermediate in pharmaceutical and chemical synthesis.
What is the CAS number of N-(4-Cyanophenyl) Glycine?

The CAS number is 42288-26-6, which uniquely identifies this compound.

What are the main uses of N-(4-Cyanophenyl) Glycine?

It is widely used in pharmaceutical manufacturing, agrochemical production, and laboratory research.

What is the molecular formula of N-(4-Cyanophenyl) Glycine?

The molecular formula is C₉H₈N₂O₂.

Is N-(4-Cyanophenyl) Glycine safe to handle?
It should be handled with proper safety measures such as gloves, protective equipment, and adequate ventilation.
How should N-(4-Cyanophenyl) Glycine be stored?

Store in a cool, dry, and well-ventilated place in tightly closed containers, away from moisture and heat.