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Volumn 46, Issue 18, 2010, Pages 3212-3214

First principles design of derivatizing agent for direct determination of enantiomeric purity of chiral alcohols and amines by NMR spectroscopy

Author keywords

[No Author keywords available]

Indexed keywords

2 PHENYLSELENOPROPANOIC ACID; ALCOHOL DERIVATIVE; AMINE; CARBON 13; PROPIONIC ACID DERIVATIVE; SELENIUM; UNCLASSIFIED DRUG;

EID: 77951834913     PISSN: 13597345     EISSN: None     Source Type: Journal    
DOI: 10.1039/b923359h     Document Type: Article
Times cited : (34)

References (55)
  • 46
    • 77951828558 scopus 로고    scopus 로고
    • 3C-Z were used as models of the CDA and substrate. Distance (d) was fixed for all complexes for the purpose of comparison; all other geometrical parameters were fully optimized. Relative strength of the NMR signal was estimated based on the values of the magnetogyric ratio, quadrupole moment, natural abundance, Larmor frequency, and relaxation properties. See supporting information for detailed description
    • 3C-Z were used as models of the CDA and substrate. Distance (d) was fixed for all complexes for the purpose of comparison; all other geometrical parameters were fully optimized. Relative strength of the NMR signal was estimated based on the values of the magnetogyric ratio, quadrupole moment, natural abundance, Larmor frequency, and relaxation properties. See supporting information for detailed description.
  • 52
    • 77951828028 scopus 로고    scopus 로고
    • See supporting information for complete details
    • See supporting information for complete details.
  • 53
    • 77951830504 scopus 로고    scopus 로고
    • 77Se, ppm): 2-methyl-1-butylamine (0.43), 1-phenylethanol (2.06), 2-octanol (2.05), 3-butyn-2-ol (0.36), 3-amino-1-phenylbutane (2.68), 3-methyl-1-pentyn-3-ol (1.47)
    • 77Se, ppm): 2-methyl-1-butylamine (0.43), 1-phenylethanol (2.06), 2-octanol (2.05), 3-butyn-2-ol (0.36), 3-amino-1-phenylbutane (2.68), 3-methyl-1-pentyn-3-ol (1.47).
  • 54
    • 77951792002 scopus 로고    scopus 로고
    • 1H nucleus - 6.1, 0.7 and 0.2 ppm (Chart 1) are in excellent agreement with the calculated upper limits 8.7, 0.8 and 0.4 ppm, respectively (Table 1)
    • 1H nucleus - 6.1, 0.7 and 0.2 ppm (Chart 1) are in excellent agreement with the calculated upper limits 8.7, 0.8 and 0.4 ppm, respectively (Table 1).
  • 55
    • 77951859195 scopus 로고    scopus 로고
    • 77Se NMR
    • 77Se NMR.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.