1135-12-2 | 4-Benzylaniline

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$11.00	$8.00
5g	98%	in stock	$21.00	$15.00
25g	98%	in stock	$73.00	$52.00
100g	98%	in stock	$276.00	$193.00

Description

• Catalog Number: AA11195
• Chemical Name: 4-Benzylaniline
• CAS Number: 1135-12-2
• Molecular Formula: C13H13N
• Molecular Weight: 183.249
• MDL Number: MFCD00047861
• SMILES: Nc1ccc(cc1)Cc1ccccc1

Computed Properties

• Complexity: 153
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 3.2

Upstream Synthesis Route

4-Benzylaniline, also known as N-(4-phenylphenyl)methanamine, is a versatile organic compound commonly utilized in chemical synthesis. This compound is frequently employed as a building block in the production of various pharmaceuticals, agrochemicals, and dyes due to its unique chemical properties.One of the primary applications of 4-Benzylaniline in chemical synthesis is its role as a key intermediate in the synthesis of biologically active compounds. By incorporating 4-Benzylaniline as a starting material, chemists can access a wide range of structurally diverse molecules with potential pharmaceutical applications. Additionally, its aromatic structure and functional groups make it a valuable component in the synthesis of specialty chemicals and fine chemicals.Furthermore, 4-Benzylaniline plays a crucial role in the preparation of heterocyclic compounds, which are essential building blocks in medicinal chemistry. Through various synthetic routes, chemists can modify the structure of 4-Benzylaniline to introduce specific functional groups and stereochemistry, enabling the creation of novel drug candidates and agrochemicals with enhanced biological activities.Overall, 4-Benzylaniline is a valuable tool in chemical synthesis, offering versatility and flexibility for the creation of complex molecules with diverse applications in the fields of pharmaceuticals, agrochemicals, and materials science.

Literature

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101

• A structural and spectroscopic investigation of the hydrochlorination of 4-benzylaniline: the interaction of anhydrous hydrogen chloride with chlorobenzene.

  Physical chemistry chemical physics : PCCP 20090114