On the Possibility of Conversion of Alcohols to Ketones and Aldehydes by Phosphinoboranes R2PBR ' R '': A Computational Study

Privalov T

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On the Possibility of Conversion of Alcohols to Ketones and Aldehydes by Phosphinoboranes R2PBR ' R '': A Computational Study

机译：膦硼烷R2PBR'R''将醇转化为酮和醛的可能性的计算研究

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Can phosphinoboranes promote hydrogenation of carbonyl moieties? By means of B3LYP and MPW1K density functional calculations the likelihood of the oxidation of alcohols by phosphinoboranes R2PBR'(2) (1) was explored. As a proof-of-principle, a theoretical study that tests the reversibility of the alcohol oxidation is reported. The potential of 1 as a metal-free hydrogenation mediator is discussed for a series of hydrogen sources such as primary and secondary alcohols.

机译：膦硼烷可以促进羰基部分的氢化吗？通过B3LYP和MPW1K密度泛函计算，研究了膦硼烷R2PBR'（2）（1）氧化醇的可能性。作为原理的证明，报道了测试醇氧化的可逆性的理论研究。对于一系列氢源（例如伯醇和仲醇），讨论了1作为无金属氢化介体的潜力。

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《Chemistry: A European journal》 |2009年第8期|共5页
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Privalov T;
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正文语种 eng
中图分类化学;
关键词
alcohols; density functional calculations; hydrogenation; metal-free catalysis; oxidation; FRUSTRATED LEWIS PAIRS; HYDROGEN-TRANSFER-REACTIONS; MECHANISTIC ASPECTS; ACTIVATION; BORANE; REACTIVITY; DIHYDROGEN; PHOSPHINES; TRANSFERS; HYDRIDES;

机译：醇;密度泛函计算;加氢;无金属催化;氧化;碎裂路易斯氏对;氢转移反应;力学方面;活化;硼烷;反应性;二氢;膦;转移;氢化物;

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1. On the Possibility of Conversion of Alcohols to Ketones and Aldehydes by Phosphinoboranes R2PBR ' R '': A Computational Study [J] . Privalov T Chemistry: A European journal . 2009,第8期

机译：膦硼烷R2PBR'R''将醇转化为酮和醛的可能性的计算研究
2. Palladium-Catalyzed One-Pot Conversion of Aldehydes and Ketones into 4-Substituted Homopropargyl Alcohols and 5-En-3-yn-1-ols [J] . Umana Christian A., Cabezas Jorge A. The Journal of Organic Chemistry . 2017,第18期

机译：钯 - 催化醛和酮的单罐转化为4-取代的同种丙基醇和5-烯-3- yN-1-OLS
3. Indium(III) Isopropoxide as a Hydrogen Transfer Catalyst for Conversion of Benzylic Alcohols into Aldehydes or Ketones via Oppenauer Oxidation [J] . Ogiwara Yohei, Ono Yuji, Sakai Norio Synthesis: International Journal of Methods in Synthetic Organic Chemistry . 2016,第23期

机译：异丙醇铟（III）作为氢转移催化剂，通过Oppenauer氧化将苄醇转化为醛或酮
4. Preliminary studies of biotransformation of aldehyde and ketone by anaerobic bacteria in the production of primary and secondary alcohol [C] . Mohd Sahaid Kalil, Mohamad Ramlan Mohamed Salleh, Wong Sook Yee Asia-Pacific biochemical engineering conference;APBIOCHEC'97 . 1997

机译：厌氧菌在伯醇和仲醇生产中对醛和酮的生物转化的初步研究
5. Studies of combustion characteristics of alcohols, aldehydes, and ketones. [D] . Veloo, Peter Surendran. 2011

机译：研究醇，醛和酮的燃烧特性。
6. Cyano-borrowing reaction: nickel-catalyzed direct conversion of cyanohydrins and aldehydes/ketones to β-cyano ketone [O] . Zhao-Feng Li, Qian Li, Li-Qing Ren, 2019

机译：氰化物借入反应：镍催化的氰醇和醛/酮直接转化为β-氰基酮
7. Studies on the Constituents of Liliaceae Plants. II. Analysis of the Higher Aldehyde, Alcohol and Ketone Composition of Some Species of Liliaceae Plants [O] . HIROSHI ISONO, HIROMASA KAMEYA, KIMIHIRO YOSHIMOTO, 1974

机译：Liliveae植物成分研究。 II。一些含少种植物植物的醛，醇和酮组成的分析
8. 9-Borabicyclo(3.3.1)nonane as a Highly Selective Reducing Agent for the Facile Conversion of alpha, beta-Unsaturated Aldehydes and Ketones to the Corresponding Allylic Alcohols in the Presence of Other Functional Groups. [R] . Krishnamurthy, S., Brown, H. C. 1975

机译：9-Borabicyclo（3.3.1）壬烷作为高选择性还原剂，用于在其他官能团存在下将α，β-不饱和醛和酮轻易转化为相应的烯丙醇。

On the Possibility of Conversion of Alcohols to Ketones and Aldehydes by Phosphinoboranes R2PBR ' R '': A Computational Study

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