Band-Selective 2D HSQMBC: A Universal Technique for Detection and Measurement of35,37Cl Isotope Effects for13C Nuclei.
A novel technique that allows efficient measurement of the35,37Cl isotope pattern for any13C resonance has been developed. The band-selective CLIP-HSQMBC experiment is reliable and universally applicable for the indirect measurement of the35,37Cl isotope shift of13C resonances. The experiment provides advantages over conventional 1D13C NMR and the recently developed bs-HSQC experiments. The utility and performance of the bs-CLIP-HSQMBC experiment is demonstrated for polyhalogenated synthons in a synthetic route and for a polyhalogenated marine natural product.
NMR Structure Elucidation, Process Research and Development and ‡Discovery Chemistry, MRL, Merck & Co., Inc. , P.O. Box 2000, Rahway, New Jersey 07065, United States.|Department of Chemistry and Biochemistry and ∥Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego , 9500 Gilman Drive MC-0358, La Jolla, California 92093, United States.
Josep
J
Saurí
NMR Structure Elucidation, Process Research and Development and ‡Discovery Chemistry, MRL, Merck & Co., Inc. , P.O. Box 2000, Rahway, New Jersey 07065, United States.|Department of Chemistry and Biochemistry and ∥Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego , 9500 Gilman Drive MC-0358, La Jolla, California 92093, United States.
Mikhail
M
Reibarkh
NMR Structure Elucidation, Process Research and Development and ‡Discovery Chemistry, MRL, Merck & Co., Inc. , P.O. Box 2000, Rahway, New Jersey 07065, United States.|Department of Chemistry and Biochemistry and ∥Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego , 9500 Gilman Drive MC-0358, La Jolla, California 92093, United States.
Ting
T
Zhang
NMR Structure Elucidation, Process Research and Development and ‡Discovery Chemistry, MRL, Merck & Co., Inc. , P.O. Box 2000, Rahway, New Jersey 07065, United States.|Department of Chemistry and Biochemistry and ∥Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego , 9500 Gilman Drive MC-0358, La Jolla, California 92093, United States.
Ryan D
RD
Cohen
NMR Structure Elucidation, Process Research and Development and ‡Discovery Chemistry, MRL, Merck & Co., Inc. , P.O. Box 2000, Rahway, New Jersey 07065, United States.|Department of Chemistry and Biochemistry and ∥Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego , 9500 Gilman Drive MC-0358, La Jolla, California 92093, United States.
Xiao
X
Wang
NMR Structure Elucidation, Process Research and Development and ‡Discovery Chemistry, MRL, Merck & Co., Inc. , P.O. Box 2000, Rahway, New Jersey 07065, United States.|Department of Chemistry and Biochemistry and ∥Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego , 9500 Gilman Drive MC-0358, La Jolla, California 92093, United States.
Tadeusz F
TF
Molinski
NMR Structure Elucidation, Process Research and Development and ‡Discovery Chemistry, MRL, Merck & Co., Inc. , P.O. Box 2000, Rahway, New Jersey 07065, United States.|Department of Chemistry and Biochemistry and ∥Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego , 9500 Gilman Drive MC-0358, La Jolla, California 92093, United States.
Gary E
GE
Martin
NMR Structure Elucidation, Process Research and Development and ‡Discovery Chemistry, MRL, Merck & Co., Inc. , P.O. Box 2000, Rahway, New Jersey 07065, United States.|Department of Chemistry and Biochemistry and ∥Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego , 9500 Gilman Drive MC-0358, La Jolla, California 92093, United States.
R Thomas
RT
Williamson
D001688:Biological Products / Q000138:chemical synthesis / Q000737:chemistry; D002247:Carbon Isotopes; D002713:Chlorine / Q000032:analysis*; D006846:Hydrocarbons, Halogenated / Q000138:chemical synthesis / Q000737:chemistry; D007554:Isotopes / Q000032:analysis*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D015394:Molecular Structure; D011522:Protons
D001688:Biological Products; D002247:Carbon Isotopes; C000615325:Chlorine-37; D006846:Hydrocarbons, Halogenated; D007554:Isotopes; D011522:Protons; D002713:Chlorine; C000615229:Carbon-13