methanol-D₄ | 22593-50-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methanol-D₄
• 英文别名: 2,2,2,O-Tetradeuteroethanol；1,1,1-Trideuterio-2-deuteriooxyethane
• CAS: 22593-50-6
• 化学式: C₂H₆O
• 分子量: 50.0373
• InChiKey: LFQSCWFLJHTTHZ-VYMTUXDUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  methanol-D₄ 、 (2H5)benzoylecgonine acid chloride 生成 (2H5)benzoylecgonine (2,2,2-2H3)ethyl ester hydrochloride
  参考文献：
  名称：

  The synthesis of deuterium-labelled cocaine, cocaethylene and metabolites

  摘要：

  We describe the syntheses of benzoylecgonine (1,1,1-H-2(3))methyl ester [(H-2(3)) cocaine], (H-2(5))benzoylecgonine, (H-2(5))benzoylecgonine methyl ester [(H-2(5))cocaine], benzoylecgonine (2,2,2-H-2(3))ethyl ester [(H-2(3))cocaethylene], (H-2(5))benzoylecgonine ethyl ester [(H-2(5))cocaethylene], (H-2(5))benzoylecgonine (2,2,2-H-2(3))ethyl ester [(H-2(8))cocaethylene], ecgonine(1,1,1 -H-2(3))methyl ester, ecgonine (2,2,2-H-2(3))ethyl ester, ecgonine(1,1,2,2,2-H-2(5))ethyl ester and anhydroecgonine( 1,1,1-H-2(3))methyl ester. -(H-2(5))Cocaine and (H-2(3))cocaethylene have been administered to human subjects to study the interactions of cocaine and ethanol. The other eight compounds were utilized as analytical standards or internal standards for GC-MS quantitation of cocaine and its metabolites in biological fluids.

  DOI：

  10.1002/(sici)1099-1344(19991230)42:13<1265::aid-jlcr283>3.0.co;2-y
• 作为产物：
  描述：

  氘代甲醇 、 二氧化碳 在 Fe(H)₂(1,2-bis(dimethylphosphino)ethane)₂ 作用下， 以 氘代四氢呋喃 为溶剂， 60.0 ℃ 、101.33 kPa 条件下， 反应 0.17h， 以86%的产率得到methanol-D₄
  参考文献：
  名称：

  Iron-Catalyzed Reduction of CO₂ into Methylene: Formation of C–N, C–O, and C–C Bonds

  摘要：

  We report herein the use of the (dihydrido) iron catalyst, Fe(H)(2)(dmpe)(2), for the selective reduction of CO2 into either bis(boryl)acetal or methoxyborane depending on the hydroborane used as a reductant. In a one-pot two-step procedure, the in situ generated bis(boryl)acetal was Shown to be a reactive and versatile source of methylene to create new C-N but also C-O and C-C bonds.

  DOI：

  10.1021/jacs.5b06077
• 作为试剂：
  描述：

  (3-methoxyprop-1-yn-1-yl)benzene 在 正丁基锂 、 methanol-D₄ 作用下， 以 乙醚 、 正己烷 为溶剂， 生成
  参考文献：
  名称：

  锂化的炔丙基醚与羰基化合物的反应-呋喃衍生物的区域选择性路线

  摘要：

  摘要 3-芳基取代的烷基炔丙基醚与正丁基锂的去质子化提供了一种环境负离子，该阴离子与羰基化合物反应以提供具有烷氧基丙烯烯亚结构的γ-取代的产物和α-取代的炔丙基醚的混合物。两种产物类型的比例在很大程度上取决于溶剂：在乙醚中，γ-取代的产物占主导，而极性更大的四氢呋喃则倾向于α-加合物。主加成产物经历5-内切- TRIG或5-内切-挖在各种反应条件下环化得到异构体呋喃衍生物。通过使用MOM保护的炔丙基醚可实现对α-取代产物的最高选择性。在质子化步骤期间，未发现质子移位导致异构的烯基阴离子的证据。简短的机械讨论试图使观察到的区域选择性合理化。 出版历史 收到：2020年8月20日 修订后接受：2020年9月26日 发布日期： 2020年10月28日（在线） ©2020年。Thieme。版权所有 Georg Thieme Verlag KGRüdigerstraße14，70469斯图加特，德国

  DOI：

  10.1055/s-0040-1705958

文献信息

• FUSED AMINODIHYDROTHIAZINE DERIVATIVES
  申请人：Hall Adrian

  公开号：US20120190672A1

  公开（公告）日：2012-07-26

  The present invention relates to a fused aminodihydrothiazine derivative of formula (I): wherein X is hydrogen or fluorine; A is CH or N; Y is methyl, ethyl, monofluoromethyl, difluoromethyl, trifluoromethyl, difluoroethyl, methoxy, ethoxy, methoxymethyl or —C≡N; and pharmaceutically acceptable salts thereof; which compound has an Aβ production inhibitory effect or a BACE1 inhibitory effect and is useful as a prophylactic or therapeutic agent for a neurodegenerative disease caused by Aβ and typified by Alzheimer-type dementia.

  本发明涉及一种公式(I)的融合氨基二氢噻嗪衍生物： 其中 X为氢或氟； A为CH或N； Y为甲基、乙基、单氟甲基、二氟甲基、三氟甲基、二氟乙基、甲氧基、乙氧基、甲氧甲基或—C≡N； 以及其药学上可接受的盐； 该化合物具有Aβ产生抑制作用或BACE1抑制作用，并且可用作预防或治疗由Aβ引起的以阿尔茨海默型痴呆为特征的神经退行性疾病的预防或治疗剂。
• [EN] FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS<br/>[FR] DÉRIVÉS D'AMINODIHYDROTHIAZINE CONDENSÉS UTILES EN TANT QU'INHIBITEURS DE BACE
  申请人：EISAI R&D MAN CO LTD

  公开号：WO2012098213A1

  公开（公告）日：2012-07-26

  The present invention relates to a fused aminodihydrothiazine derivative of formula (I): wherein X is hydrogen or fluorine; A is CH or N; Y is methyl, ethyl, monofluoromethyl, difluoromethyl, trifluoromethyl, difluoroethyl, methoxy, ethoxy, methoxymethyl or -C≡N; and pharmaceutically acceptable salts thereof; which compound has an Αβ production inhibitory effect or a BACEl inhibitory effect and is useful as a prophylactic or therapeutic agent for a neurodegenerative disease caused by Αβ and typified by Alzheimer-type dementia.

  本发明涉及一种公式(I)的融合氨基二氢噻嗪衍生物，其中X为氢或氟；A为CH或N；Y为甲基、乙基、单氟甲基、二氟甲基、三氟甲基、二氟乙基、甲氧基、乙氧基、甲氧甲基或-C≡N；以及其药学上可接受的盐；该化合物具有Αβ产生抑制作用或BACEl抑制作用，并且可用作由Αβ引起且以阿尔茨海默病型痴呆为特征的神经退行性疾病的预防或治疗剂。
• [EN] CYCLOPROPANATION METHOD<br/>[FR] PROCÉDÉ DE CYCLOPROPANATION
  申请人：OKINAWA INST SCIENCE & TECH SCHOOL CORP

  公开号：WO2019035479A1

  公开（公告）日：2019-02-21

  A cyclopropanation method includes reacting an alcohol, an ester, or an aldehyde with a sulfone in an organic solvent containing a base providing a counter cation to form a cyclopropane; and isolating the cyclopropane.　When using the alcohol or ester, the organic solvent further contains a catalyst having an alcohol dehydrogenation activity.

  一种环丙烷化方法包括在含有提供对离子的碱的有机溶剂中，将醇、酯或醛与砜反应以形成环丙烷；并分离出环丙烷。当使用醇或酯时，有机溶剂进一步含有具有醇脱氢活性的催化剂。
• Aqueous phase hydrodeoxygenation of polyols over Pd/WO3-ZrO2: Role of Pd-WO3 interaction and hydrodeoxygenation pathway
  作者：Changjun Liu、Junming Sun、Heather M. Brown、Oscar G. Marin-Flores、J. Timothy Bays、Ayman M. Karim、Yong Wang

  DOI：10.1016/j.cattod.2015.10.034

  日期：2016.7

  Aqueous phase processing of biomass derived sugar alcohols is one of the promising routes to convert biomass into fuels and chemicals. Bifunctional catalysts are critical in the aqueous phase hydrodeoxygenation of sugar alcohol. Understanding the interaction between metal and acidic metal oxides as well as the hydrodeoxygenation pathways will help develop more efficient bifunctional catalysts. Here, tungstated zirconia supported palladium catalysts were prepared and further characterized using nitrogen sorption, X-ray diffraction, FT-IR analysis of adsorbed pyridine, CO chemisorption and diffuse reflectance UV-vis. Strong interaction between palladium and WO3 in addition to a synergetic effect of the acidic and metallic sites were found to promote the aqueous phase hydrodeoxygenation of ethylene glycol. H-D exchange experiments using C-13H-1} NMR spectroscopy confirmed that the aqueous phase hydrodeoxygenation follows a dehydration-hydrogenation pathway. The hydrogenation of the dehydration products shifts the dehydration-hydration equilibrium toward the dehydration pathway and leads to highly selective C-O cleavage. (C) 2015 Elsevier B.V. All rights reserved.
• Nickel-Catalyzed Hydroamination and Hydroalkoxylation of Enelactams with Unactivated Amines and Alcohols
  作者：Tao Song、Kuiyang Wang、Qianjia Yuan、Wanbin Zhang

  DOI：10.1021/acs.orglett.3c02341

  日期：2023.8.18