1-[3,5-双(三氟甲基)苯基]丙醇 | 742097-70-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-[3,5-双(三氟甲基)苯基]丙醇
• 中文别名: 1-[3,5-双(三氟甲基)苯基]丙烷-1-醇
• 英文名称: (-)-1-(3,5-bis(trifluoromethyl)phenyl)propan-1-ol
• 英文别名: 1-[3,5-Bis(trifluoromethyl)phenyl]propan-1-ol
• CAS: 742097-70-7
• 化学式: C₁₁H₁₀F₆O
• mdl: MFCD08062371
• 分子量: 272.19
• InChiKey: MBQJJEHEDHLDBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-[3,5-双(三氟甲基)苯基]丙醇 在 chromium(VI) oxide 、 甲酸 、 硫酸 、 formamide 作用下， 生成
  参考文献：
  名称：

  Thiourea inhibitors of herpes viruses. Part 2: N-Benzyl-N′-arylthiourea inhibitors of CMV

  摘要：

  A series of highly potent thiourea inhibitors of cytomegalovirus (CMV) with improved stability properties was prepared and evaluated. Compound 29 inhibited the virus in cultured HFF cells with IC50 of 0.2 nM. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2004.04.093
• 作为产物：
  描述：

  3,5-二(三氟甲基)苯丙酮 在 2-氨甲基吡啶 、 五羰基溴化锰(I) 、 potassium tert-butylate 、 氢气 作用下， 以 四氢呋喃 为溶剂， 120.0 ℃ 、3.0 MPa 条件下， 反应 12.0h， 以23%的产率得到1-[3,5-双(三氟甲基)苯基]丙醇
  参考文献：
  名称：

  锰催化的酮均相氢化和α , β -不饱和羧酸衍生物的共轭还原：一种化学选择性、稳健且不含膦的原位方案

  摘要：

  我们传达了一种用户友好且无需手套箱的催化协议，用于酮和酯和腈的共轭 C C键的锰催化氢化。相应的催化剂很容易由特权 [Mn(CO) 5 Br] 前体和廉价的 2-吡啶甲胺原位组装。催化转化在t- BuOK存在下进行，从而以良好至极好的收率获得相应的氢化产物。所描述的系统提供了对仲醇和饱和酯的快速和原子效率的访问，避免了使用氧敏感和昂贵的基于膦的配体。

  DOI：

  10.1016/j.apcata.2021.118280

文献信息

• Asymmetric synthesis of optically active fluorine-containing alcohols by the catalytic enantioselective alkylation of aldehydes
  作者：Tadakatsu Hayase、Tadashi Sugiyama、Masanori Suzuki、Takanori Shibata、Kenso Soai

  DOI：10.1016/s0022-1139(97)00039-0

  日期：1997.8

  Optically active fluorine-containing alcohols with up to 97% enantiomeric excess were synthesized by the enantioselective addition of dialkylzincs to fluorine-containing aldehydes using chiral β-aminoalcohol catalysts such as N,N-dibutylnorephedrine (DBNE, 2d), 2-morpholino-1-phenyl-1-propanol (2g, MOPEP) and diphenyl(1-methylpyrrolidin-2-yl)methanol (3, DPMPM).

  通过使用手性β-氨基醇催化剂（例如N，N-二丁基去氧麻黄碱（DBNE，2d），2-吗啉代-1）将二烷基锌向含氟醛中对映选择性加成，合成了对映体过量高达97％的旋光含氟醇。-苯基-1-丙醇（2g，MOPEP）和二苯基（1-甲基吡咯烷-2-基）甲醇（3，DPMPM）。
• NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME
  申请人：OHGIYA Tadaaki

  公开号：US20090062306A1

  公开（公告）日：2009-03-05

  A compound represented by the following general formula (I), wherein R 1 , R 2 , R 3 , R 4 and R 5 represent hydrogen atom, a halogen atom, a lower alkyl group and the like, R 6 represents an alkyl group, a cycloalkyl group and the like, R 7 and R 8 represent hydrogen atom, a lower alkyl group, a (lower cycloalkyl)(lower alkyl) group and the like, R 9 represents hydrogen atom, a halogen atom, a lower alkoxy group and the like, R 10 and R 11 represent hydrogen atom, a lower alkyl group, a lower alkoxy group, a halo(lower alkyl) group and the like, and A represents a heterocyclic ring constituted by 6 to 10 atoms, which has potent inhibitory activity on cholesterol ester transfer protein (CETP).

  通式（I）表示的化合物，其中R1、R2、R3、R4和R5表示氢原子、卤原子、低烷基基团等，R6表示烷基基团、环烷基基团等，R7和R8表示氢原子、低烷基基团、（低环烷基）（低烷基）基团等，R9表示氢原子、卤原子、低烷氧基团等，R10和R11表示氢原子、低烷基基团、低烷氧基团、卤代（低烷基）基团等，A表示由6到10个原子构成的杂环环，对胆固醇酯转移蛋白（CETP）具有强大的抑制活性。
• 2,2′-Bipyridine-α,α′-trifluoromethyl-diol ligand: synthesis and application in the asymmetric Et₂Zn alkylation of aldehydes
  作者：Samuel Lauzon、Thierry Ollevier

  DOI：10.1039/d1cc04556c

  日期：——

  A chiral 2,2′-bipyridine ligand (1) bearing α,α′-trifluoromethyl-alcohols at 6,6′-positions was designed in five steps affording either the R,R or S,S enantiomer with excellent stereoselectivities, i.e. 97% de, >99% ee and >99.5% de, >99.5% ee, respectively. The key step for reaching high levels of stereoselectivity was demonstrated to be the resolution of the α-CF3-alcohol using (S)-ibuprofen as the

  手性 2,2'-联吡啶配体 ( 1 ) 在 6,6'-位带有 α,α'-三氟甲基-醇，分五步设计，得到具有优异立体选择性的R , R或S , S对映异构体，即97 % de, >99% ee 和 >99.5% de, >99.5% ee。已证明达到高立体选择性的关键步骤是使用 ( S )-布洛芬作为拆分剂拆分α-CF 3 -醇。2,2'-联吡啶-α,α'-CF 3 -二醇配体的初步应用在 Zn II 中得到了强调-催化芳香、杂芳香和脂肪醛的不对称乙基化反应。新开发的配体的协同电子缺陷和空间位阻特性使相应的醇具有良好的收率（高达 99%）和对映选择性（高达 95% ee）。从单晶衍射分析中观察到，2,2'-联吡啶-α,α'-CF 3 -二醇配体的络合产生了不寻常的六配位Zn II。
• NOVEL PYRIMIDINE COMPOUND HAVING DIBENZYLAMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME
  申请人：OHGIYA Tadaaki

  公开号：US20090082352A1

  公开（公告）日：2009-03-26

  A compound represented by the following general formula (I), wherein R 1 , R 2 , R 3 , R 4 and R 5 represent hydrogen atom, a halo(lower alkyl) group, cyano group and the like, R 6 represents an alkyl group, a cycloalkyl group and the like, R 7 , R 8 , R 9 and R 10 represent hydrogen atom, a halogen atom, a lower alkyl group, a halo(lower alkyl) group and the like, R 11 and R 12 represent hydrogen atom, a lower alkyl group, a (lower cycloalkyl) (lower alkyl) group and the like, and R 13 represents hydrogen atom, a halogen atom, a lower alkoxy group and the like, which has potent inhibitory activity on cholesterol ester transfer protein (CETP).

  一个由以下通用公式（I）表示的化合物，其中R1、R2、R3、R4和R5代表氢原子、卤素（低烷基）基团、氰基团等，R6代表烷基基团、环烷基基团等，R7、R8、R9和R10代表氢原子、卤素原子、低烷基基团、卤素（低烷基）基团等，R11和R12代表氢原子、低烷基基团、（低环烷基）（低烷基）基团等，R13代表氢原子、卤素原子、低烷氧基团等，具有对胆固醇酯转移蛋白（CETP）具有强大抑制活性的化合物。
• Piperidine Compound and Process for Preparing the Same
  申请人：Miyake Tsutomu

  公开号：US20090005355A1

  公开（公告）日：2009-01-01

  The present invention is to provide a piperidine compound represented by the formula [I]: wherein Ring A is an optionally substituted benzene ring, Ring B is an optionally substituted benzene ring, R 1 is hydrogen atom or a substituent for amino group, R 2 is hydrogen atom, an optionally substituted hydroxyl group, an optionally substituted amino group, an optionally substituted alkyl group, a substituted carbonyl group or a halogen atom, Z is oxygen atom or —N(R 3 )—, R 3 is hydrogen atom or an optionally substituted alkyl group, R 4a and R 4b may be the same or different, and each is hydrogen atom or an optionally substituted alkyl group, or may be bonded to each other at the both ends to form an alkylene group, or a pharmaceutically acceptable salt thereof, which has an excellent tachykinin receptor antagonistic action.

  本发明提供了一种由式[I]表示的哌啶化合物，其中环A是可选取代的苯环，环B是可选取代的苯环，R1是氢原子或氨基基团的取代基，R2是氢原子、可选取代的羟基、可选取代的氨基、可选取代的烷基、取代的羰基或卤素原子，Z是氧原子或-N（R3）-，R3是氢原子或可选取代的烷基，R4a和R4b可以相同也可以不同，每个是氢原子或可选取代的烷基，或者可以在两端结合形成烷基，或其药学上可接受的盐，具有优异的Tachykinin受体拮抗作用。