CAS 1233495-05-0

1,1-Dimethylethyl N-[(1R)-1-(hydroxymethyl)-2-[[(4-methylphenyl)methyl]thio]ethyl]carbamate

Description:

1,1-Dimethylethyl N-[(1R)-1-(hydroxymethyl)-2-[[(4-methylphenyl)methyl]thio]ethyl]carbamate, identified by its CAS number 1233495-05-0, is a chemical compound that belongs to the class of carbamates. This substance features a complex structure characterized by a dimethyl group attached to a tert-butyl moiety, which contributes to its steric bulk. The presence of a hydroxymethyl group indicates potential for hydrogen bonding, enhancing its solubility in polar solvents. Additionally, the compound contains a thioether linkage, which may influence its reactivity and stability. The aromatic ring, specifically the 4-methylphenyl group, suggests potential for π-π interactions, which can affect its physical properties and interactions with biological systems. Overall, this compound's unique structural features may confer specific biological activities or applications, particularly in medicinal chemistry or agrochemicals, although detailed studies would be necessary to elucidate its precise behavior and potential uses.

Formula: C₁₆H₂₅NO₃S

InChI: InChI=1S/C16H25NO3S/c1-12-5-7-13(8-6-12)10-21-11-14(9-18)17-15(19)20-16(2,3)4/h5-8,14,18H,9-11H2,1-4H3,(H,17,19)/t14-/m1/s1

InChI key: InChIKey=OZZBJMHSOZAQBJ-CQSZACIVSA-N

SMILES: C(SC[C@H](NC(OC(C)(C)C)=O)CO)C1=CC=C(C)C=C1

Synonyms:

• 1,1-Dimethylethyl N-[(1R)-1-(hydroxymethyl)-2-[[(4-methylphenyl)methyl]thio]ethyl]carbamate
• Carbamic acid, N-[(1R)-1-(hydroxymethyl)-2-[[(4-methylphenyl)methyl]thio]ethyl]-, 1,1-dimethylethyl ester
• Boc-D-Cys(p-CH3Bzl)-ol
• BOC-(S)-2-AMINO-3-[(4-METHYLBENZYL)THIO]-1-PROPANOL
• N-T-BUTOXYCARBONYL-S-(4-METHYLBENZYL)-D-CYSTEINOL
• BOC-D-CYSTEINOL(PMEBZL)
• BOC-D-CYSTEINOL(4-ME-BZL)
• BOC-S-4-METHYLBENZYL-D-CYSTEINOL
• Boc-S-4-methylbenzyl-D-cysteinol≥ 99% (HPLC)
• BOC-D-CYS(CH3BZL)-OL