CAS 269396-77-2: (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-(trifluoromethyl)benzenebutanoic acid

Description: The chemical substance known as (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-(trifluoromethyl)benzenebutanoic acid, with the CAS number 269396-77-2, 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 suggests that it may be used as a protecting group in synthetic chemistry, particularly in peptide synthesis. The stereochemistry indicated by (βR) implies that the compound has specific spatial arrangements that can affect its reactivity and interaction with biological targets. This compound may exhibit properties relevant to medicinal chemistry, potentially serving as a lead compound in drug development due to its unique functional groups. Its solubility, stability, and reactivity would depend on the specific conditions and solvents used in experiments or applications. Overall, this compound represents a class of molecules that could be of interest in pharmaceutical research and development.

Formula: C₁₆H₂₀F₃NO₄

InChI: InChI=1S/C16H20F3NO4/c1-15(2,3)24-14(23)20-11(9-13(21)22)8-10-6-4-5-7-12(10)16(17,18)19/h4-7,11H,8-9H2,1-3H3,(H,20,23)(H,21,22)/t11-/m1/s1

InChI key: InChIKey=YQJFIZXCXGBMPB-LLVKDONJSA-N

SMILES: O=C(OC(C)(C)C)NC(CC(=O)O)CC=1C=CC=CC1C(F)(F)F

Synonyms:

• (3R)-3-[(tert-butoxycarbonyl)amino]-4-[2-(trifluoromethyl)phenyl]butanoic acid
• (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-(trifluoromethyl)benzenebutanoic acid
• Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2-(trifluoromethyl)-, (βR)-
• Boc-D-β-HoPhe(2-CF3)-OH

Boc-(R)-3-Amino-4-(2-trifluoromethyl-phenyl)-butyric acid

CAS: 269396-77-2

• Formula: C₁₆H₂₀F₃NO₄
• Purity: 95%
• Color and Shape: Solid
• Molecular weight: 347.3295

Boc-2-trifluoromethyl-D-b-homophenylalanine

CAS: 269396-77-2

• Purity: 98%
• Molecular weight: 347.3340148925781

Boc-(R)-3-Amino-4-(2-trifluoromethylphenyl)butyric acid

CAS: 269396-77-2

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