113850-71-8 | (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(3-iodo-4-methoxyphenyl)propanoate

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Description

• Catalog Number: AV18392
• Chemical Name: (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(3-iodo-4-methoxyphenyl)propanoate
• CAS Number: 113850-71-8
• Molecular Formula: C16H22INO5
• Molecular Weight: 435.254
• MDL Number: MFCD28991824
• SMILES: COC(=O)[C@H](Cc1ccc(c(c1)I)OC)NC(=O)OC(C)(C)C

Computed Properties

• Complexity: 410
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Heavy Atom Count: 23
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 8
• XLogP3: 3.5

Upstream Synthesis Route

The compound methyl (2S)-3-(3-iodo-4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate serves as a valuable building block in chemical synthesis due to its versatile reactivity and functional groups. When incorporated into synthetic routes, this compound can act as a key intermediate for the preparation of various pharmaceuticals, agrochemicals, and other fine chemicals. The ester functionality of the compound enables it to participate in important catalytic reactions such as ester hydrolysis, esterification, and transesterification processes. Additionally, the presence of the amino group provides opportunities for further derivatization through various coupling reactions, making it an essential precursor for the synthesis of more complex molecules.