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CAS 331763-56-5

:

(βR)-3-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid

Description:
(βR)-3-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid, with CAS number 331763-56-5, is a synthetic organic compound characterized by its complex structure, which includes a chloro substituent, an amino group, and a benzenebutanoic acid backbone. This compound features a chiral center, indicated by the (βR) designation, which implies that it exists in a specific stereoisomeric form. The presence of the 1,1-dimethylethoxycarbonyl group suggests that it may be used in various chemical reactions, particularly in the synthesis of more complex molecules. Its functional groups indicate potential applications in medicinal chemistry, possibly as a pharmaceutical intermediate or active ingredient. The compound's solubility, stability, and reactivity would depend on its specific molecular interactions, including hydrogen bonding and steric effects. Overall, this compound exemplifies the intricate nature of organic chemistry, where slight variations in structure can lead to significant differences in properties and applications.
Formula:C15H20ClNO4
InChI:InChI=1S/C15H20ClNO4/c1-15(2,3)21-14(20)17-12(9-13(18)19)8-10-5-4-6-11(16)7-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChI key:InChIKey=APXVJJBVNYZEDD-GFCCVEGCSA-N
SMILES:C([C@@H](NC(OC(C)(C)C)=O)CC(O)=O)C1=CC(Cl)=CC=C1
Synonyms:
  • (R)-3-((tert-Butoxycarbonyl)amino)-4-(3-chlorophenyl)butanoic acid
  • (R)-3-((tert-Butoxycarbonyl)amino)-4-(3-chlorophenyl)butanoicacid
  • (R)-3-(tert-Butoxycarbonylamino)-4-(3-chlorophenyl)butanoic acid
  • (βR)-3-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid
  • Boc-D-β-HoPhe(3-Cl)-OH
  • Benzenebutanoic acid, 3-chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-
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