120157-96-2 | Methyl 4-((tert-butoxycarbonylamino) methyl)benzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$70.00	$49.00
5g	97%	in stock	$205.00	$143.00
25g	97%	in stock	$850.00	$595.00

Description

• Catalog Number: AA34039
• Chemical Name: Methyl 4-((tert-butoxycarbonylamino) methyl)benzoate
• CAS Number: 120157-96-2
• Molecular Formula: C14H19NO4
• Molecular Weight: 265.305
• MDL Number: MFCD11870086
• SMILES: COC(=O)c1ccc(cc1)CNC(=O)OC(C)(C)C

Computed Properties

• Complexity: 314
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 19
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 6
• XLogP3: 2.3

Upstream Synthesis Route

Methyl 4-(((tert-butoxycarbonyl)amino)methyl)benzoate is a versatile compound widely utilized in chemical synthesis as a key building block for the preparation of various pharmaceuticals and organic molecules. Its unique structure allows for the introduction of both the ester and benzyl functional groups, making it an important intermediate in the synthesis of complex compounds. In organic chemistry, this compound serves as a valuable tool for introducing the amino and ester functionalities simultaneously, enabling the efficient creation of diverse molecular structures. Its application in chemical synthesis plays a crucial role in the development of new drugs, materials, and compounds with specific properties and functions.