Unknown

Dataset Information

0

(2S,NS)-N-Allyl-N-benzyl-1-hydr-oxy-3-(4-hydroxy-phen-yl)-N-methyl-propan-2-aminium bromide.


ABSTRACT: The title compound, C(20)H(26)NO(2) (+)·Br(-), is an N-chiral quaternary ammonium salt synthesized from (2S*)-N-benzyl-N-methyl-tyrosine methyl ester. The dihedral angle between the phenyl ring and the benzene ring is 11.61?(19)°. In the crystal structure, the allyl group is disordered over two positions with site occupancy factors of ca 0.8 and 0.2. The bromide anion links to the quaternary ammonium cations via O-H?Br hydrogen bonding. An intramolecular O-H?Br hydrogen bond is also observed.

SUBMITTER: Wu HF 

PROVIDER: S-EPMC2962230 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

altmetric image

Publications

(2S,NS)-N-Allyl-N-benzyl-1-hydr-oxy-3-(4-hydroxy-phen-yl)-N-methyl-propan-2-aminium bromide.

Wu Hua-Fang HF   Luo Ying-Gang YG   Yu Kai-Bei KB   Zhang Guo-Lin GL   Pan Xin-Fu XF  

Acta crystallographica. Section E, Structure reports online 20080731 Pt 8


The title compound, C(20)H(26)NO(2) (+)·Br(-), is an N-chiral quaternary ammonium salt synthesized from (2S*)-N-benzyl-N-methyl-tyrosine methyl ester. The dihedral angle between the phenyl ring and the benzene ring is 11.61 (19)°. In the crystal structure, the allyl group is disordered over two positions with site occupancy factors of ca 0.8 and 0.2. The bromide anion links to the quaternary ammonium cations via O-H⋯Br hydrogen bonding. An intramolecular O-H⋯Br hydrogen bond is also observed. ...[more]

Similar Datasets

| S-EPMC2977172 | biostudies-literature
| S-EPMC2959272 | biostudies-literature
| S-EPMC2969592 | biostudies-literature
| S-EPMC2969228 | biostudies-literature
| S-EPMC2980095 | biostudies-literature
| S-EPMC2960284 | biostudies-literature
| S-EPMC2980212 | biostudies-literature
| S-EPMC2970457 | biostudies-literature
| S-EPMC2979101 | biostudies-literature
| S-EPMC2983519 | biostudies-other