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Reactive Coarse-Grained Molecular Dynamics.
Dannenhoffer-Lafage T, Voth GA. Dannenhoffer-Lafage T, et al. J Chem Theory Comput. 2020 Apr 14;16(4):2541-2549. doi: 10.1021/acs.jctc.9b01140. Epub 2020 Mar 10. J Chem Theory Comput. 2020. PMID: 32101415
As an example, the RCG method was applied to a model of S(N)2 reactions of 1-chlorobutane with a chloride ion and 1-iodobutane with an iodide ion in a methanol solvent. An asymmetric reaction was also modeled by incorporating a constant energy offset to the 1
As an example, the RCG method was applied to a model of S(N)2 reactions of 1-chlorobutane with a chloride ion and 1-iodobutane
A Study of 2-Iodobutane by Rotational Spectroscopy.
Arsenault EA, Obenchain DA, Choi YJ, Blake TA, Cooke SA, Novick SE. Arsenault EA, et al. J Phys Chem A. 2016 Sep 15;120(36):7145-51. doi: 10.1021/acs.jpca.6b06938. Epub 2016 Sep 1. J Phys Chem A. 2016. PMID: 27556339
Rotational transitions belonging to 2-iodobutane (sec-butyl-iodide, CH3CHICH2CH3) were measured over the frequency range 5.5-16.5 GHz via jet-pulsed Fourier transform microwave spectroscopy. ...Additionally, isotopic substitution in conjunction with an ab ini …
Rotational transitions belonging to 2-iodobutane (sec-butyl-iodide, CH3CHICH2CH3) were measured over the frequency rang …
Palladium-Catalyzed Decarbonylative Iodination of Aryl Carboxylic Acids Enabled by Ligand-Assisted Halide Exchange.
Boehm P, Martini T, Lee YH, Cacherat B, Morandi B. Boehm P, et al. Angew Chem Int Ed Engl. 2021 Jul 26;60(31):17211-17217. doi: 10.1002/anie.202103269. Epub 2021 Jun 26. Angew Chem Int Ed Engl. 2021. PMID: 34013616 Free PMC article.
We report an efficient and broadly applicable palladium-catalyzed iodination of inexpensive and abundant aryl and vinyl carboxylic acids via in situ activation to the acid chloride and formation of a phosphonium salt. The use of 1-iodobutane as iodide source in comb …
We report an efficient and broadly applicable palladium-catalyzed iodination of inexpensive and abundant aryl and vinyl carboxylic acids via …
Formation of volatile iodinated alkanes in soil: results from laboratory studies.
Keppler F, Borchers R, Elsner P, Fahimi I, Pracht J, Schöler HF. Keppler F, et al. Chemosphere. 2003 Jul;52(2):477-83. doi: 10.1016/S0045-6535(03)00198-X. Chemosphere. 2003. PMID: 12738273
Six volatile organoiodides, iodomethane, iodoethane, 1-iodopropane, 2-iodopropane, 1-iodobutane and 2-iodobutane were identified and their release rates were determined. ...
Six volatile organoiodides, iodomethane, iodoethane, 1-iodopropane, 2-iodopropane, 1-iodobutane and 2-iodobutane were i …
Properties of the tert-butyl halide solvolysis transition states.
Abraham MH , Martins F , Elvas-Leitão R , Moreira L . Abraham MH , et al. Phys Chem Chem Phys. 2021 Feb 7;23(5):3311-3320. doi: 10.1039/d0cp05099g. Epub 2021 Feb 2. Phys Chem Chem Phys. 2021. PMID: 33527930
We show that all three transition states, in both protic and in aprotic solvents, are highly dipolar and are strong hydrogen bond acids and strong hydrogen bond bases, except for the tert-butyl iodide transition state in aprotic solvents, which has a rather low hydr …
We show that all three transition states, in both protic and in aprotic solvents, are highly dipolar and are strong hydrogen bond acids and …
Anhydrous Hydrogen Iodide-Mediated Reductive Indolization of In Situ-Generated Cyclopropyl Hydrazones.
Yasui M, Fujioka H, Takeda N, Ueda M. Yasui M, et al. Org Lett. 2022 Jan 14;24(1):43-47. doi: 10.1021/acs.orglett.1c03607. Epub 2021 Dec 9. Org Lett. 2022. PMID: 34881907
Fischer-type indolization of N-aryl-C-cyclopropyl hydrazones generated in situ followed by chemoselective reduction using tert-butyl iodide as an anhydrous HI generator was developed. This protocol provides indoles bearing carboxylic acid derivative units. ...
Fischer-type indolization of N-aryl-C-cyclopropyl hydrazones generated in situ followed by chemoselective reduction using tert-butyl
Synthesis, Molecular Docking, and In Vitro Boron Neutron Capture Therapy Assay of Carboranyl Sinomenine.
Cai J, Hosmane NS, Takagaki M, Zhu Y. Cai J, et al. Molecules. 2020 Oct 14;25(20):4697. doi: 10.3390/molecules25204697. Molecules. 2020. PMID: 33066470 Free PMC article.
The reaction of potassium salt of sinomenie, which is generated from the deprotonation of sinomenine (1) using potassium carbonate in a solvent of N,N-dimethyl formamide, with 4-methylcarboranyl-n-butyl iodide, (2) forms methylcarboranyl-n-butyl sinomenine (3 …
The reaction of potassium salt of sinomenie, which is generated from the deprotonation of sinomenine (1) using potassium carbonate in a solv …
Perfluoro-n-butyl iodide: acute toxicity, subchronic toxicity and genotoxicity evaluations.
Dodd D, Hoffman G, Hardy C. Dodd D, et al. Int J Toxicol. 2004 Jul-Aug;23(4):249-58. doi: 10.1080/10915810490502050. Int J Toxicol. 2004. PMID: 15371169
Perfluoro-n-butyl iodide (PFBI) is a promising alternative to chlorofluorocarbon solvents used in aircraft ground maintenance operations and other military and commercial operations, because it cleans well, has zero ozone depletion potential, and has extremel …
Perfluoro-n-butyl iodide (PFBI) is a promising alternative to chlorofluorocarbon solvents used in aircraft ground maint …
Polyketone-Based Anion-Exchange Membranes for Alkaline Water Electrolysis.
Racchi O, Baldassari R, Araya-Hermosilla E, Mattoli V, Minei P, Pozio A, Pucci A. Racchi O, et al. Polymers (Basel). 2023 Apr 25;15(9):2027. doi: 10.3390/polym15092027. Polymers (Basel). 2023. PMID: 37177175 Free PMC article.
The anion-exchange groups were generated by the imidazole quaternization by using two different types of alkyl halides, i.e., 1,4-iodobutane and 1-iodobutane, with the aim of modulating the degree of crosslinking of the derived membrane. ...
The anion-exchange groups were generated by the imidazole quaternization by using two different types of alkyl halides, i.e., 1,4-iodobut
[Determination of trace iodide in drinking water in Shanghai by two columns and gas chromatography with electron capture detection].
Wei X, Zhang YY, Zhang D, Wang X, Sheng YJ, Zhang J, Guo S, Zheng WW, Chen X, Qu WD. Wei X, et al. Zhonghua Yu Fang Yi Xue Za Zhi. 2010 Jul;44(7):591-5. Zhonghua Yu Fang Yi Xue Za Zhi. 2010. PMID: 21055072 Chinese.
RESULTS: The results of mass spectrometry showed that iodide would form iodobutane which could generate 1-iodo-2-butanone and 3-iodo-2-butanone isomers by derivatization. The data of qualitative analysis by two capillary columns revealed that iodobutane was separate …
RESULTS: The results of mass spectrometry showed that iodide would form iodobutane which could generate 1-iodo-2-butanone and 3-iodo- …
70 results