1-环丙基-3-甲基丁烷-2-醇 | 139268-53-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-环丙基-3-甲基丁烷-2-醇
• 英文名称: 1-cyclopropyl-3-methylbutan-2-ol
• CAS: 139268-53-4
• 化学式: C₈H₁₆O
• 分子量: 128.214
• InChiKey: KTUFQGPKOWLMQV-UHFFFAOYSA-N

物化性质

• 沸点：
  161.1±8.0 °C(Predicted)
• 密度：
  0.925±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  1.0
• 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：

  1-环丙基-3-甲基丁烷-2-醇 在 sodium peroxide 、 吡啶硼烷 、 双氧水 、 pyridinium chlorochromate 作用下， 生成 3-Isopropyl-5-ethyl-1,2-dioxolane
  参考文献：
  名称：

  Mercury(II)-mediated cyclisation of hydroperoxyalkylcyclopropanes: a new route to cyclic peroxides

  摘要：

  Aldehydes, RCHO (R = Me, Et, (i)Pr, and c-C6H11), have been converted via alkylation, cyclopropanation, oxidation, condensation with p-tosylhydrazine, reduction and perhydrolysis into 2-hydroperoxyalkylcyclopropanes, RCH(OOH)CH2c-C3H5, and thence by cycloperoxymercuriation and reductive demercuriation into the corresponding 3-alkyl-5-ethyl-1,2-dioxolanes.

  DOI：

  10.1016/0040-4039(91)80453-d
• 作为产物：
  描述：

  二碘甲烷 、 2-甲基-5-己烯-3-醇 在 铜 、 锌 作用下， 生成 1-环丙基-3-甲基丁烷-2-醇
  参考文献：
  名称：

  Mercury(II)-mediated cyclisation of hydroperoxyalkylcyclopropanes: a new route to cyclic peroxides

  摘要：

  Aldehydes, RCHO (R = Me, Et, (i)Pr, and c-C6H11), have been converted via alkylation, cyclopropanation, oxidation, condensation with p-tosylhydrazine, reduction and perhydrolysis into 2-hydroperoxyalkylcyclopropanes, RCH(OOH)CH2c-C3H5, and thence by cycloperoxymercuriation and reductive demercuriation into the corresponding 3-alkyl-5-ethyl-1,2-dioxolanes.

  DOI：

  10.1016/0040-4039(91)80453-d

文献信息

• NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20140309225A1

  公开（公告）日：2014-10-16

  The object of the present invention is to provide a compound and a pharmaceutical composition having excellent Syk inhibitory activity. According to the present invention, a nicotinamide derivative represented by the following formula (I) or a salt thereof is provided, wherein R 1 is a substituent represented by the following formula (II-1), (III-1), or (IV-1) (wherein R 3 , R 4 , R 5 , n, and X 1 have the same definitions as those described in the specification), and R 2 is a pyridyl, indazolyl, phenyl, pyrazolopyridyl, benzisoxazolyl, pyrimidinyl, or quinolyl group, each of which optionally has at least one substituent.

  本发明的目的是提供一种具有优异的Syk抑制活性的化合物和药物组合物。根据本发明，提供了由以下式（I）表示的烟酰胺衍生物或其盐， 其中 R 1 是由以下式（II-1）、（III-1）或（IV-1）表示的取代基 （其中R 3 、R 4 、R 5 、n和X 1 的定义与说明书中描述的相同），而R 2 是吡啶基、吲唑基、苯基、吡唑吡啶基、苯并异噁唑基、嘧啶基或喹啉基，每种基可选择地具有至少一个取代基。
• Easy selective generation of (lithiomethyl)cyclopropane or homoallyllithium by a chlorine–lithium exchange
  作者：Isidro M. Pastor、Itziar Peñafiel、Miguel Yus

  DOI：10.1016/j.tetlet.2008.09.100

  日期：2008.11

  The reaction of (chloromethyl)cyclopropane 5 with lithium and a catalytic amount of DTBB (5 mol %) in the presence of different carbonyl compounds [Et2CO, n-Pr2CO, (c-C3H5)2CO, (CH2)5CO, PhCOMe, t-BuCHO, i-PrCHO, PhCHO] as electrophiles in THF at −78 °C leads, after hydrolysis with water, to the corresponding cyclopropyl alcohols 6. However, when the same starting material is lithiated using naphthalene

  （氯甲基）环丙烷5与锂和催化量的DTBB（5 mol％）在不同羰基化合物[Et 2 CO，n -Pr 2 CO，（c -C 3 H 5）2 CO， （CH 2）5 CO，PhCOMe，t -BuCHO，i -PrCHO，PhCHO]在THF中在-78°C下亲电子体，在用水水解后导致相应的环丙醇6。然而，当使用萘作为芳烃催化剂在0℃下将相同的起始原料锂化，然后与相同系列的亲电试剂反应时，最终用水水解产生相应的不饱和醇7。
• Cyclopropylmethyl- and cyclobutylmethyllithium by an arene-catalyzed lithiation. Stability and reactivity
  作者：Itziar Peñafiel、Isidro M. Pastor、Miguel Yus

  DOI：10.1016/j.tet.2010.02.090

  日期：2010.4

  presence of different carbonyl compounds as electrophiles, in THF at −78 °C leads, after hydrolysis, to the corresponding cycloalkyl alcohols 6 and 9, respectively. However, when the same starting materials are lithiated using naphthalene as catalyst in diethyl ether and at higher temperature (0 or 25 °C), and then react with the same electrophiles, the final hydrolysis yields the corresponding unsaturated

  在不同的羰基化合物作为亲电试剂的情况下，在-78°C的THF中，（氯甲基）环丙烷5和（溴甲基）环丁烷8与锂和亚化学计量的DTBB的反应在水解后导致相应的环烷基醇分别为6和9。然而，当使用萘作为催化剂在乙醚中并在较高温度（0或25°C）下对相同的起始原料进行锂化，然后与相同的亲电试剂反应时，最终水解分别产生相应的不饱和醇7和10。
• [EN] OXAZOLIDINONES AS MODULATORS OF MGLUR5<br/>[FR] OXAZOLIDINONES UTILISÉES EN TANT QUE MODULATEURS DE MGLUR5
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015054103A1

  公开（公告）日：2015-04-16

  The disclosure generally relates to compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds are ligands, agonists and partial agonists for the mGluR5 receptor and may be useful for the treatment of various disorders of the central nervous system.

  该披露通常涉及到公式I的化合物，包括它们的盐，以及使用这些化合物的组合物和方法。这些化合物是mGluR5受体的配体、激动剂和部分激动剂，可能对中枢神经系统的各种疾病的治疗有用。
• OXAZOLIDINONES AS MODULATORS OF MGLUR5
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160237072A1

  公开（公告）日：2016-08-18

  The disclosure generally relates to compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds are ligands, agonists and partial agonists for the mGluR5 receptor and may be useful for the treatment of various disorders of the central nervous system.

  该披露通常涉及I式化合物及其盐，以及使用这些化合物的组合物和方法。这些化合物是mGluR5受体的配体，激动剂和部分激动剂，并且可能对治疗中枢神经系统的各种疾病有用。