Synthesis, Conformational Analysis and Crystal Structure of New Thioxo, Oxo, Seleno Diastereomeric Cyclophosphamides Containing 1,3,2-dioxaphosphorinane
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F86652036%3A_____%2F19%3A00522048" target="_blank" >RIV/86652036:_____/19:00522048 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.2174/1385272823666190213142748" target="_blank" >http://dx.doi.org/10.2174/1385272823666190213142748</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.2174/1385272823666190213142748" target="_blank" >10.2174/1385272823666190213142748</a>
Alternative languages
Result language
angličtina
Original language name
Synthesis, Conformational Analysis and Crystal Structure of New Thioxo, Oxo, Seleno Diastereomeric Cyclophosphamides Containing 1,3,2-dioxaphosphorinane
Original language description
Thioxo, Oxo and Seleno diastereomeric cyclophosphamides containing 1,3,2-dioxaphosphorinane are prepared by a one-step chemical reaction. Their structural determination is carried out by means of Nuclear Magnetic Resonance NMR (P-31, H-1, C-13) and High-Resolution Mass Spectroscopy (HRMS). The conformational study of diastereomeric products is described. Density Functional Theory (DFT) calculations allowed the identification of preferred conformations. Experimental and calculated P-31, C-13, H-1 NMR chemical shifts are compared. The molecular structure of the 2-Benzylamino-5-methyl-5propyl- 2-oxo-1,3,2-dioxaphosphorinane (3d) has been determined by means of crystal X-ray diffraction methods.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10401 - Organic chemistry
Result continuities
Project
<a href="/en/project/LM2015043" target="_blank" >LM2015043: Czech Infrastructure for Integrative Structural Biology</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Current Organic Chemistry
ISSN
1385-2728
e-ISSN
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Volume of the periodical
23
Issue of the periodical within the volume
2
Country of publishing house
GB - UNITED KINGDOM
Number of pages
9
Pages from-to
205-213
UT code for WoS article
000465447200005
EID of the result in the Scopus database
2-s2.0-85069998616