18595-14-7 | Methyl 4-amino-3-methylbenzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$15.00	$10.00
5g	97%	in stock	$16.00	$11.00
10g	97%	in stock	$19.00	$13.00
25g	97%	in stock	$25.00	$18.00
100g	97%	in stock	$39.00	$27.00

Description

• Catalog Number: AB46508
• Chemical Name: Methyl 4-amino-3-methylbenzoate
• CAS Number: 18595-14-7
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.1891
• MDL Number: MFCD00102230
• SMILES: COC(=O)c1ccc(c(c1)C)N

Computed Properties

• Complexity: 170
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 1.1

Upstream Synthesis Route

Methyl 4-amino-3-methylbenzoate, also known as 4-Amino-3-methylbenzoic acid methyl ester, is a versatile compound widely utilized in chemical synthesis. This organic molecule plays a crucial role in various applications within the realm of chemistry, particularly in the development of pharmaceuticals and agrochemicals. Its structural properties make it a valuable building block for the synthesis of complex molecules with diverse functionalities. One key application of Methyl 4-amino-3-methylbenzoate is its use as a precursor in the synthesis of novel pharmaceutical compounds. By incorporating this compound into specific synthetic routes, chemists can introduce unique functionalities and stereochemistries essential for drug development. Its presence in the molecular structure of pharmaceuticals can influence biological activity, pharmacokinetics, and other crucial properties.In addition to pharmaceuticals, Methyl 4-amino-3-methylbenzoate is also employed in the synthesis of agrochemicals. The compound's reactivity and compatibility with other functional groups make it an ideal starting material for creating crop protection agents, herbicides, and pesticides. By harnessing its synthetic potential, researchers can tailor the properties of agrochemicals to enhance their efficacy and environmental safety.Overall, Methyl 4-amino-3-methylbenzoate serves as a valuable tool in chemical synthesis, enabling scientists to construct diverse and complex molecules essential for advancing various industries, including pharmaceuticals and agriculture.

Literature

• Methyl 4-amino-3-methyl-benzoate.

  Acta crystallographica. Section E, Structure reports online 20080501

• Methyl 4-(butyrylamino)-5-methyl-2-nitro-benzoate.

  Acta crystallographica. Section E, Structure reports online 20080401