2-乙酰基-1-辛醇 | 67801-33-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-乙酰基-1-辛醇
• 英文名称: 3-(hydroxymethyl)-2-nonanone
• 英文别名: 2-Nonanone, 3-(hydroxymethyl)-；3-(hydroxymethyl)nonan-2-one
• CAS: 67801-33-6
• 化学式: C₁₀H₂₀O₂
• mdl: MFCD00217063
• 分子量: 172.268
• InChiKey: DIZUHEORFPDTIQ-UHFFFAOYSA-N

物化性质

• 沸点：
  264℃
• 密度：
  0.913
• 闪点：
  110℃
• LogP：
  1.740
• 保留指数：
  1093

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  乙腈 、 1,2-环氧辛烷 在 二氯二茂钛 、 锌 、 sodium dihydrogenphosphate 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 0.83h， 以76%的产率得到2-乙酰基-1-辛醇
  参考文献：
  名称：

  Titanocene-Promoted Intermolecular Couplings of Epoxides with Nitriles. An Easy Access to β-Hydroxyketones

  摘要：

  Radical couplings of epoxides and nitriles mediated by Cp2TiCl provide a diastereoselective route to the synthesis of beta-hydroxyketones. The conditions of this "aldol-like" reaction are mild enough to avoid the dehydration of the beta-hydroxyketone. The scope of the coupling reaction with functionalized and tetrasubstituted epoxides has been studied. The radical character of the coupling reactions is demonstrated.

  DOI：

  10.1021/jo900479v

文献信息

• Novel cyclic diamine compounds and medicine containing the same
  申请人：Kowa Company, Ltd.

  公开号：US20040038987A1

  公开（公告）日：2004-02-26

  The present invention offers novel cyclic diamine compounds and a pharmaceutical composition containing the same. The present invention relates to a compound represented by the formula (I) or salt(s) or solvate(s) thereof. 1 (In the formula, 2 is an optionally substituted divalent residue of benzene, pyridine, cyclohexane or naphthalene or is a vinylene group where Ar is an optionally substituted aryl group; X is —NH—, oxygen atom or sulfur atom; Y is —NR 1 —, oxygen atom, sulfur atom, sulfoxide or sulfone; Z is a single bond or —NR 2 —; R 1 is hydrogen atom, optionally substituted lower alkyl group, optionally substituted aryl group or optionally substituted silyl lower alkyl group; R 2 is hydrogen atom, optionally substituted lower alkyl group, optionally substituted aryl group or optionally substituted silyl lower alkyl group; l is an integer of from 0 to 15; m is an integer of 2 or 3; and n is an integer of from 0 to 3). The compound of the present invention is useful as a pharmaceutical composition, particuarly as an inhibitor of acyl coenzyme A cholesterol acyltransferase (ACAT).

  本发明提供了新颖的环状二胺化合物以及含有该化合物的药物组合物。本发明涉及由式(I)表示的化合物或其盐或溶剂化合物。(在该式中，2是苯、吡啶、环己烷或萘的可选择取代的二价残基，或者是Ar为可选择取代芳基的乙烯基；X为—NH—、氧原子或硫原子；Y为—NR1—、氧原子、硫原子、亚砜或砜；Z为单键或—NR2—；R1为氢原子、可选择取代的较低烷基、可选择取代的芳基或可选择取代的硅烷较低烷基；R2为氢原子、可选择取代的较低烷基、可选择取代的芳基或可选择取代的硅烷较低烷基；l为0到15的整数；m为2或3的整数；n为0到3的整数)。本发明的化合物可用作药物组合物，特别是作为酰辅酶A胆固醇酰基转移酶(ACAT)的抑制剂。
• Fragrance alcohol-releasing polysiloxane
  申请人：Kohle Hans-Jurgen

  公开号：US20070021319A1

  公开（公告）日：2007-01-25

  Organopolysiloxanes which contain a fragrance alcohol Y—OH bonded via a betaine ester group having the structure —N + R 1 R 2 —CH 2 —C(O)OY, cleave off the fragrance alcohol under acid conditions and are resistant to hydrolysis in the neutral and weakly basic range. The organopolysiloxanes adhere to textile fibres, skin or hair and are suitable as perfume components for textile treatment agents and personal care products.

  含有一种香精醇Y—OH的有机聚硅氧烷，通过一个具有结构—N+R1R2—CH2—C(O)OY的甜菜碱酯基与之结合，在酸性条件下释放出香精醇，并在中性和弱碱性范围内对水解具有抗性。这种有机聚硅氧烷能够附着在纺织纤维、皮肤或头发上，并可作为纺织处理剂和个人护理产品的香水成分。
• [EN] KETALS AND POLYKETALS AS RELEASE AGENTS<br/>[FR] CÉTALS ET POLYCÉTALS EN TANT QU'AGENTS DE LIBÉRATION
  申请人：UNIV COLUMBIA

  公开号：WO2020060908A1

  公开（公告）日：2020-03-26

  Disclosed herein are ketal compounds, oligomers, and polyketals that are obtained in both high purity and high yield. These ketals and polyketals are utilized for their ability to readily release small chemical molecules, preferably fragrance molecules. Also disclosed are the utility of ketals and polyketals as delivery vehicles for controlled release of fragrances over time and/or on demand.

  本文揭示了高纯度和高产率获得的酮缩合物、寡聚体和聚酮缩合物。这些酮缩合物和聚酮缩合物被用于其释放小分子化学物质（最好是香味分子）的能力。还揭示了酮缩合物和聚酮缩合物作为传递载体的用途，用于随时间控制释放香味分子或按需释放。
• [EN] METHOD OF PREPARING ALKOXY-FUNCTIONAL ORGANOSILICON COMPOUNDS<br/>[FR] PROCÉDÉ DE PRÉPARATION DE COMPOSÉS D'ORGANOSILICIUM À FONCTIONNALITÉ ALCOXY
  申请人：DOW SILICONES CORP

  公开号：WO2021050463A1

  公开（公告）日：2021-03-18

  A method of preparing an alkoxy-functional organosilicon compound is provided. The method comprises reacting (A) an initial organosilicon compound and (B) an alcohol component in the presence of (C) a catalyst, thereby preparing the alkoxy-functional organosilicon compound. The initial organosilicon compound (A) comprises at least one alkoxysilyl group. The alcohol component (B) comprises an organic alcohol. The catalyst (C) comprises (C1) an ammonium carboxylate compound or (C2) a titanate compound. A reaction product comprising an alkoxy-functional organosilicon compound prepared in accordance with the method, and a composition comprising the reaction product, are also provided. The alkoxy-functional organosilicon compound, and the reaction product and composition comprising the same, are prepared in increased purity under functional group-tolerant conditions.

  提供了一种制备烷氧基官能有机硅化合物的方法。该方法包括在催化剂存在下，反应（A）初始有机硅化合物和（B）醇组分，从而制备烷氧基官能有机硅化合物。初始有机硅化合物（A）包括至少一个烷氧基硅基团。醇组分（B）包括有机醇。催化剂（C）包括（C1）铵羧酸盐化合物或（C2）钛酸盐化合物。还提供了按照该方法制备的烷氧基官能有机硅化合物的反应产物，以及包含该反应产物的组合物。这种烷氧基官能有机硅化合物，以及包含同样的反应产物和组合物，在官能团耐受条件下以更高纯度制备。
• Cinnamide derivatives as KCNQ potassium channel modulators
  申请人：——

  公开号：US20030166650A1

  公开（公告）日：2003-09-04

  There is provided novel cinnamide derivatives of Formula I 1 wherein R is C 1-4 alkyl or trifluoromethyl; R 1 is selected from the group consisting of pyridinyl, quinolinyl, thienyl, furanyl, 1,4-benzodioxanyl, 1,3-benzodioxolyl, chromanyl, indanyl, biphenylyl, phenyl and substituted phenyl in which said substituted phenyl is substituted with one or two substituents each independently selected-from the group consisting of halogen, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethyl, trifluoromethoxy and nitro; R 2 and R 3 are each independently selected from the group consisting of hydrogen, C 1-4 alkyl, and halogen; R 4 is selected from the group consisting of di(C 1-4 alkyl)amino, trifluoromethoxy and optionally substituted morpholin-4-yl, pyridinyl, pyrimidinyl, piperazinyl, and pyrazinyl with one or two substituents in which said substituent is independently selected from the group consisting of C 1-4 alkyl, aminomethyl, hydroxymethyl, chloro or fluoro; R 5 is hydrogen, chloro or fluoro; or R 4 and R 5 taken together are —CH═CH—CH═CH— or —X(CH 2 ) m Y— in which X and Y are each independently selected from the group consisting of CH 2 , (CH 2 ) n N(R 9 )— and O, wherein m is 1 or 2; n is 0 or 1; and R 6 , R 7 , and R 8 are each independently selected from hydrogen, chloro and fluoro; and R 9 is selected from the group consisting of hydrogen, C 1-4 alkyl, hydroxyethyl, C 1-4 alkoxyethyl, cyclopropylmethyl, —CO 2 (C 1-4 alkyl), and —CH 2 CH 2 NR 10 R 11 in which R 10 and R 11 are each independently hydrogen or C 1-4 alkyl, which are openers of the KCNQ potassium channels and are useful in the treatment of disorders which are responsive to the opening of the KCNQ potassium channels.

  提供了一种新型的 Formula I1 中的肉桂酰胺衍生物，其中 R 为 C1-4 烷基或三氟甲基；R1 选自吡啶基、喹啉基、噻吩基、呋喃基、1,4-苯并二氧杂基、1,3-苯并二氧杂基、色基、茚基、联苯基、苯基和取代苯基，其中所述取代苯基取代有一个或两个取代基，每个取代基独立地选自卤素、C1-4 烷基、C1-4 烷氧基、三氟甲基、三氟甲氧基和硝基；R2 和 R3 各自独立地选自氢、C1-4 烷基和卤素；R4 选自二(C1-4 烷基)氨基、三氟甲氧基和可选取代的吗啉-4-基、吡啶基、嘧啶基、哌嗪基和吡嗪基，其中所述基带有一个或两个取代基，所述取代基独立地选自 C1-4 烷基、氨甲基、羟甲基、氯或氟；R5 为氢、氯或氟；或者 R4 和 R5 结合成 —CH═CH—CH═CH— 或 —X(CH2)mY—，其中 X 和 Y 各自独立地选自 、( )nN(R9)— 和 O，其中 m 为 1 或 2；n 为 0 或 1；R6、R7 和 R8 各自独立地选自氢、氯和氟；R9 选自氢、C1-4 烷基、羟乙基、C1-4 烷氧乙基、环丙基甲基、—CO2(C1-4 烷基) 和 — NR10R11，其中 R10 和 R11 各自独立地为氢或 C1-4 烷基，这些化合物是 KCNQ 钾通道的开放剂，可用于治疗对 KCNQ 钾通道的开放有反应的疾病。