CAS 161529-22-2: Phenylmethyl (3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-iodobutanoate

Description: Phenylmethyl (3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-iodobutanoate, also known by its CAS number 161529-22-2, is a chemical compound characterized by its complex structure, which includes a butanoate backbone substituted with an iodine atom and an amino group. The presence of the phenylmethyl group contributes to its aromatic characteristics, while the 1,1-dimethylethoxycarbonyl moiety enhances its stability and solubility in organic solvents. This compound is typically used in organic synthesis and medicinal chemistry, often serving as an intermediate in the development of pharmaceuticals. Its stereochemistry, indicated by the (3S) designation, suggests specific spatial arrangements that can influence its biological activity and interactions. The iodine substituent may also impart unique reactivity, making it a valuable target for further chemical transformations. Overall, this compound exemplifies the intricate nature of organic molecules, combining various functional groups that can lead to diverse applications in chemical research and development.

Formula: C₁₆H₂₂INO₄

InChI: InChI=1S/C16H22INO4/c1-16(2,3)22-15(20)18-13(10-17)9-14(19)21-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,20)/t13-/m0/s1

InChI key: InChIKey=AZOOJSICMDXGFD-ZDUSSCGKSA-N

SMILES: O=C(OC(C)(C)C)NC(CI)CC(=O)OCC=1C=CC=CC1

Synonyms:

• Phenylmethyl (3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-iodobutanoate
• Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-iodo-, phenylmethyl ester, (3S)-
• (3S)-(tert-Butoxycarbonylamino)-4-iodobutanoic acid benzyl ester
• Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-iodo-, phenylmethyl ester, (S)-
• (S)-Benzyl 3-((tert-butoxycarbonyl)amino)-4-iodobutanoate

Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-iodo-, phenylmethyl ester, (3S)-

CAS: 161529-22-2

• Formula: C₁₆H₂₂INO₄
• Molecular weight: 419.2546

Benzyl (S)-3-(Boc-amino)-4-iodobutanoate

CAS: 161529-22-2

• Molecular weight: 419.25g/mol

Benzyl (S)-3-((tert-butoxycarbonyl)amino)-4-iodobutanoate

CAS: 161529-22-2

• Purity: 98%
• Molecular weight: 419.2590026855469

Benzyl (S)-3-(Boc-amino)-4-iodobutanoate

CAS: 161529-22-2

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• Formula: C₁₆H₂₂INO₄
• Purity: Min. 95%
• Molecular weight: 419.25 g/mol