CAS 270065-80-0: (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-(trifluoromethyl)benzenebutanoic acid

Description: The chemical substance known as (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-(trifluoromethyl)benzenebutanoic acid, with the CAS number 270065-80-0, is a synthetic organic compound characterized by its complex structure, which includes a benzenebutanoic acid backbone. This compound features a trifluoromethyl group, which enhances its lipophilicity and may influence its biological activity. The presence of the dimethylethoxycarbonyl group indicates that it has protective functionalities that can be utilized in synthetic chemistry. The stereochemistry denoted by (βS) suggests that it has specific spatial arrangements that can affect its interaction with biological targets, making it potentially relevant in pharmaceutical applications. Additionally, the compound's properties, such as solubility, melting point, and reactivity, would be influenced by its functional groups and overall molecular structure. Overall, this compound may be of interest in medicinal chemistry and drug development due to its unique characteristics and potential therapeutic applications.

Formula: C₁₆H₂₀F₃NO₄

InChI: InChI=1S/C16H20F3NO4/c1-15(2,3)24-14(23)20-12(9-13(21)22)8-10-4-6-11(7-5-10)16(17,18)19/h4-7,12H,8-9H2,1-3H3,(H,20,23)(H,21,22)/t12-/m0/s1

InChI key: InChIKey=UKFKHDUXBBWVHB-LBPRGKRZSA-N

SMILES: O=C(OC(C)(C)C)NC(CC(=O)O)CC1=CC=C(C=C1)C(F)(F)F

Synonyms:

• (3S)-3-[(tert-butoxycarbonyl)amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid
• (3S)-3-[[[(1,1-Dimethylethyl)oxy]carbonyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid
• (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-(trifluoromethyl)benzenebutanoic acid
• Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(trifluoromethyl)-, (βS)-
• Boc-β-HoPhe(4-CF3)-OH

(S)-3-((tert-Butoxycarbonyl)amino)-4-(4-(trifluoromethyl)phenyl)butanoic acid

CAS: 270065-80-0

• Formula: C₁₆H₂₀F₃NO₄
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 347.3295

(S)-Boc-2-(trifluoromethyl)-β-Homophe-OH

CAS: 270065-80-0

Boc-4-trifluoromethyl-L-b-homophenylalanine

CAS: 270065-80-0

• Purity: 98.0%
• Molecular weight: 347.3340148925781

(S)-Boc-2-(trifluoromethyl)-²-Homophe-OH

CAS: 270065-80-0

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• Formula: C₁₆H₂₀F₃NO₄
• Purity: Min. 95%
• Molecular weight: 347.33 g/mol