MYO-INOSITOL, 2-C-METHYL- | 472-96-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: MYO-INOSITOL, 2-C-METHYL-
• 英文别名: 2-C-methyl-myo-inositol；2-Methyl-mesoinosit (Isomytilit)；Isomytilito；isomytilitol；Isomytilit；1r-Methyl-cyclohexanhexol-(1,2t,3c,4t,5c,6t)；2-C-Methyl-myo-inosit
• CAS: 472-96-8
• 化学式: C₇H₁₄O₆
• 分子量: 194.185
• InChiKey: AJGYLNFUYLRZFR-AQWRHFAGSA-N

物化性质

• 熔点：
  223 °C
• 沸点：
  287.4±40.0 °C(Predicted)
• 密度：
  1.818±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.44
• 重原子数：
  13.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  121.38
• 氢给体数：
  6.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  MYO-INOSITOL, 2-C-METHYL- 生成 1,3,4,5,6-penta-O-acetyl-2-C-methyl-myo-inositol
  参考文献：
  名称：

  Recyclches dans lasériedes cyclites VII。穆尔河畔环礁岩（蛇纹石）和queisques物质voisines

  摘要：

  DOI：

  10.1002/hlca.19440270156
• 作为产物：
  描述：

  3,4,5,6-tetra-O-benzyl inositol 在 20% palladium hydroxide-activated charcoal 、 氢气 、 sodium hydride 、 三氟乙酸 、 2-碘酰基苯甲酸 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 水 、 乙酸乙酯 、 苯 为溶剂， 20.0 ℃ 、413.7 kPa 条件下， 反应 30.25h， 生成 MYO-INOSITOL, 2-C-METHYL-
  参考文献：
  名称：

  The orientation of the β-hydroxyl group controls the diastereoselectivity during the hydride reduction and Grignard reaction of inososes

  摘要：

  A comparison of the results of the Grignard reaction and the hydride reduction of the carbonyl group of epi- and scyllo-inososes reveals that the extent of diastereoselectivity of these reactions is decided by the orientation of the beta-hydroxyl group (or its derivative). Presence of an axial beta-hydroxyl group generally results in the formation of relatively larger amount of the axial alcohol as a result of the reduction of the carbonyl group. The possible reasons for the observed differences in diastereoselectivity between the reactions of these isomeric epi- and scyllo-inososes have been discussed. The sequence of reactions reported here provides convenient access to C-allcylated inositols, such as iso-laminitol and iso-mytilitol as well as 2-O-methyl epi-inositol, an epimer of the naturally occurring ononitol. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.04.081

文献信息

• EUTECTIC EXTRACTION OF SOLIDS
  申请人：Givaudan SA

  公开号：EP3986160A1

  公开（公告）日：2022-04-27
• US5091596A
  申请人：——

  公开号：US5091596A

  公开（公告）日：1992-02-25
• [EN] EUTECTIC EXTRACTION OF SOLIDS<br/>[FR] EXTRACTION EUTECTIQUE DE SOLIDES
  申请人：GIVAUDAN SA

  公开号：WO2020254579A1

  公开（公告）日：2020-12-24

  The present invention relates to methods and uses for preparing biological extracts using Deep Eutectic Solvents (DES) as hydrotropic agents, methods for purifying biological extracts formed using Deep Eutectic Solvents (DES) as hydrotropic agents, the biological extractions obtained using the methods and uses and the use of the biological extracts, such as in food-stuffs, flavours and fragrances, pharmaceuticals, cosmetics, nutraceuticals and supplements, such as food supplements and sports supplements.