Methyl-2-cyclohexen-1-ol | 21592-97-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl-2-cyclohexen-1-ol
• 英文别名: 4-methylcyclohex-2-enol；cis/trans-4-Methylcyclohex-2-en-1-ol；4-Methyl-cyclohexen-(2)-ol-(1)；4-Methyl-2-cyclohexen-1-ol；4-Methyl-cyclohexen-(2)-ol；4-Methyl-cyclohex-2-en-1-ol；4-methylcyclohex-2-en-1-ol
• CAS: 21592-97-2
• 化学式: C₇H₁₂O
• 分子量: 112.172
• InChiKey: YOQLXQKRNWMILQ-UHFFFAOYSA-N

物化性质

• 沸点：
  88-90 °C(Press: 20 Torr)
• 密度：
  0.960±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 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：

  Methyl-2-cyclohexen-1-ol 在 E_. coli 作用下， 反应 20.0h， 以100%的产率得到(+)-(R)-5-methyloxepan-2-one
  参考文献：
  名称：

  级联反应的酶工具箱：不对称合成中体内氧化还原序列的展示。

  摘要：

  合力：乙醇脱氢酶，烯酸还原酶和Baeyer-Villiger单加氧酶通过在大肠杆菌中共表达而在级联反应中结合在一起，从而形成重组的全细胞生物催化剂。这种人工代谢的“小”途径使获得高收率和光学纯度的功能化手性化合物成为可能，例如动力学分辨率，脱对称性和区域发散性生物转化。

  DOI：

  10.1002/cctc.201300604
• 作为产物：
  描述：

  4-methyl-2-cyclohexenone 在 sodium tetrahydroborate 、 calcium chloride 作用下， 以 甲醇 为溶剂， 以88%的产率得到Methyl-2-cyclohexen-1-ol
  参考文献：
  名称：

  A Facile and Selective 1,2-Reduction of Conjugated Ketones with NaBH₄in the Presence of CaCl₂

  摘要：

  CaCl2是一种有效的催化剂，用于在甲醇溶液中通过NaBH4实现α-烯酮的区域选择性1,2-还原。

  DOI：

  10.1246/cl.1991.1847

文献信息

• Bismuth-Substituted “Sandwich” Type Polyoxometalate Catalyst for Activation of Peroxide: Umpolung of the Peroxo Intermediate and Change of Chemoselectivity
  作者：Srinivasa Rao Amanchi、Alexander M. Khenkin、Yael Diskin-Posner、Ronny Neumann

  DOI：10.1021/acscatal.5b00066

  日期：2015.6.5

  formation of a nucleophilic peroxo intermediate. There are two lines of evidence that support the formation of a reactive nucleophilic peroxo intermediate: (1) More electrophilic sulfoxides are more reactive than more nucleophilic sulfides, and (2) nonfunctionalized aliphatic alkenes and dienes showed ene type reactivity rather than epoxidation pointing toward “dark” formation of singlet oxygen from the

  W VI，Mo VI，V V和Ti IV化合物用过氧化物对烯烃进行环氧化是公认的方法，并且公认的是，活性中间过氧化物对亲核底物是亲电子的。Polyoxotungstates，例如，那些在“三明治”结构，[WZn（TM-L）的2（ZnW 9 ö 34）2 ] q - ，其中TM =过渡金属和L = H 2 O，在过去已经发现是出色的环氧化催化剂。现已发现，用刘易斯基本的Bi III代替进入“三明治”多金属氧酸盐结构的末端位置，生成[Zn 2 Bi III 2（ZnW 9 O 34）2 ] 14–导致明显的过氧化物种类的形成和亲核过氧化物中间体的形成。有两条证据支持反应性亲核过氧中间体的形成：（1）更多的亲电子亚砜比更多的亲核硫化物更具反应性；（2）未官能化的脂肪族烯烃和二烯显示出烯型反应性，而不是环氧化，指向“亲核中间体过氧物种形成单线态氧的“暗”形。烯丙醇的反应比烯烃快得多，但对醇的C–H
• COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME
  申请人：Komatsuki Yasuhiro

  公开号：US20110081393A1

  公开（公告）日：2011-04-07

  Disclosed is a cooling sensation agent composition or sensory stimulation agent composition which contains at least one of diester compounds of dicarboxylic acid represented by the formula (1) wherein A represents CH 2 or CH═CH, n represents an integer of 0 to 4 when A is CH 2 , or 1 when A is CH═CH, B is an alcohol residue having 10 to 18 carbon atoms and containing a para-menthane skeleton, which may have a substituent, and C is an alcohol residue having 6 to 18 carbon atoms, which may have a substituent as well as a flavor or fragrance composition, a beverage, a food product, a perfume or cosmetic product, a toiletry product, daily utensil products or groceries, a fiber, a fiber product, clothes, clothing or a medicine, wherein the cooling sensation agent composition or the sensory stimulation agent composition is compounded.

  本文披露了一种包含以下化学式（1）所代表的二羧酸双酯化合物之一的冷却感剂组合物或感官刺激剂组合物，其中A代表CH2或CH═CH，n代表整数0至4（当A为CH2时）或1（当A为CH═CH时），B是含有10至18个碳原子并含有对蒎烷骨架的醇残基，可能有取代基，C是含有6至18个碳原子的醇残基，可能也有取代基，以及香料或香精组合物、饮料、食品产品、香水或化妆品产品、洗涤用品、日用品或杂货、纤维、纤维制品、衣服、服装或药品，其中复合了冷却感剂组合物或感官刺激剂组合物。
• [EN] ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS<br/>[FR] DÉRIVÉS D'ARYLCARBOXAMIDE COMME BLOQUEURS DE TTX-S
  申请人：RAQUALIA PHARMA INC

  公开号：WO2011058766A1

  公开（公告）日：2011-05-19

  The present invention relates to aryl carboxamide derivatives of formula (I), wherein Ar1 is phenyl; Ar2 is aryl; n is 1-4; X is -O-, -S-, -SO- or -SO2-, a prodrug thereof or a pharmaceutically acceptable salt thereof, which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of such disorders and diseases as pain in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases as pain in which voltage gated sodium channels are involved.

  本发明涉及式（I）的芳基羧酰胺衍生物，其中Ar1为苯基；Ar2为芳基；n为1-4；X为-O-、-S-、-SO-或-SO2-，其前体药物或其药学上可接受的盐，具有作为TTX-S通道的电压门控钠通道的阻塞活性，并且在治疗或预防涉及电压门控钠通道的疾病和疾病中如疼痛等方面具有用途。该发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在预防或治疗涉及电压门控钠通道的疾病如疼痛中的用途。
• A Multigram, Catalytic and Enantioselective Synthesis of Optically Active 4-Methyl-2-cyclohexen-1-one: a Useful Chiral Building Block
  作者：Fabio Bertozzi、Paolo Crotti、Ben L. Feringa、Franco Macchia、Mauro Pineschi

  DOI：10.1055/s-2001-11445

  日期：——

  The first catalytic asymmetric synthesis of both (R)-(+)- and (S)-(-)-4-methyl-2-cyclohexen-1-one and a new and improved synthesis of both enantiomers of (1S,4S)-(-) and (1R,4R)-(+)-4-methyl-2-cyclohexen-1-ol was developed on a multigram scale. The key step of this approach is the asymmetric catalyzed addition of Me2Zn (SN2'-pathway) to racemic 1,3-cyclohexadiene monoepoxide. This step has been optimized

  (R)-(+)- 和 (S)-(-)-4-methyl-2-cyclohexen-1-one 的首次催化不对称合成以及 (1S,4S) 的两种对映体的新的和改进的合成-(-) 和 (1R,4R)-(+)-4-methyl-2-cyclohexen-1-ol 以多克规模开发。该方法的关键步骤是将 Me2Zn（SN2'-途径）不对称催化加成到外消旋的 1,3-环己二烯单环氧化物中。该步骤已针对对映选择性和区域选择性以及后处理程序进行了优化。本文报道的 2,2'-联萘基亚磷酰胺的手性铜络合物所表现出的引人注目的配体加速催化作用允许非常低的催化剂负载量 (0.6 mol%)。
• CYCLOHEXENE-3,6-DIYL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：Sasada Yasuyuki

  公开号：US20130270480A1

  公开（公告）日：2013-10-17

  To provide a compound, when the compound has both a high clearing point and a low crystallization temperature, having a wide temperature range of a liquid crystal phase and also an excellent solubility in other liquid crystal compounds, and further having general physical properties necessary for the compound, namely, stability to heat, light and so forth, a suitable optical anisotropy and a suitable dielectric anisotropy. A compound is represented by formula (1): wherein, for example, Ra and Rb are alkyl having 1 to 10 carbons; A 1 , A 2 , A 3 and A 4 are 1,4-phenylene; Z 1 , Z 2 , Z 3 and Z 4 are a single bond or alkylene having 1 to 4 carbons; and m, n, q and r are independently 0, 1, or 2, and a sum of m, n, q and r is 1, 2, 3 or 4.

  为了提供一种化合物，该化合物具有高的清除点和低的结晶温度，具有广泛的液晶相温度范围，同时在其他液晶化合物中具有优异的溶解性，并且进一步具有化合物所必需的一般物理性质，即耐热性、耐光性等，适当的光学各向异性和适当的介电各向异性。该化合物由式（1）表示：其中，例如，Ra和Rb是具有1至10个碳的烷基；A1、A2、A3和A4是1,4-苯撑基；Z1、Z2、Z3和Z4是单键或具有1至4个碳的烷基；m、n、q和r独立地为0、1或2，并且m、n、q和r的总和为1、2、3或4。