4-ethyl-4-hydroxyhexyl chloride | 82507-03-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-ethyl-4-hydroxyhexyl chloride
• 英文别名: 3-ethyl-6-chloro-hexan-3-ol；3-Aethyl-6-chlor-hexan-3-ol；6-chloro-3-ethyl-3-hexanol；6-Chloro-3-ethylhexan-3-ol
• CAS: 82507-03-7
• 化学式: C₈H₁₇ClO
• mdl: MFCD19232605
• 分子量: 164.675
• InChiKey: IXVGVYWKLVVNGP-UHFFFAOYSA-N

物化性质

• 沸点：
  99-100 °C(Press: 10 Torr)
• 密度：
  0.971±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• 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：

  4-ethyl-4-hydroxyhexyl chloride 在 氢氧化钾 、 水 作用下， 生成 2,2-Diaethyl-tetrahydro-furan
  参考文献：
  名称：

  Wohlgemuth, Annales de Chimie (Cachan, France), 1915, vol. <9> 3, p. 151

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯丁酸乙酯 、 乙基溴化镁 以 乙醚 为溶剂， 生成 4-ethyl-4-hydroxyhexyl chloride
  参考文献：
  名称：

  Bifunctional even-electron ions: 1—Fragmentation behaviour of ω-methoxy-, ω-hydroxy- and ω-chloro-oxonium ions

  摘要：

  AbstractBifunctional oxonium ions—generated from tertiary aliphatic alcohols containing an additional hydroxy, methoxy or chloro group at the end of an alkyl side‐chain—do not markedly exhibit fragmentations typical of ordinary oxonium ions, but show as the main reactions those caused by functional group interaction, through‐space interaction being the dominant factor. The main primary fragmentation is loss of the additional functional group X as HX, followed by loss of the side‐chain originally separating the two functional groups, leading to carbonyl cations. This typical reaction sequence is initiated by proton migration from the oxonium moiety to the additional functional group. The reaction behaviour of the bifunctional ions is discussed. The lowest homologues show specific deviations from the general fragmentation behaviour.

  DOI：

  10.1002/oms.1210201008

文献信息

• Vitamin D analogues having a halogen-or azido- substituted side chain
  申请人：Leo Pharmaceutical Products Ltd. A/S (L.o slashed.vens Kemiske Fabrik

  公开号：US05612325A1

  公开（公告）日：1997-03-18

  A compound of formula I ##STR1## wherein R stands for a straight or branched, saturated or unsaturated alkyl group containing from 4 to 12 carbon atoms optionally substituted with a hydroxy group, and possibly containing a ring structure, and in which at least one of the carbon atoms not bearing hydroxyl group is substituted with one or more halogen atoms or an azido group; and prodrugs of I in which one or more of the hydroxy groups are masked as groups which can be reconverted to hydroxy groups in vivo, in pure form or in mixtures. The compounds show antiinflammatory and immunomodulating effects as well as strong activity in inducing differentiation and inhibiting undesirable proliferation of certain cells. The compounds are prepared by oxidizing 1(S),3(R)-bis-(tert-butyldimethylsilyloxy)-20(S)formyl-9,10-seco-pregna-5( E),7(E),10(19)-triene, reducing the resulting product; alkylating the reduction product and then subjecting the alkylated product to triplet-sensitized photoisomerization.

  一种具有公式I的化合物，其中R代表一个直链或支链、饱和或不饱和的烷基基团，含有4至12个碳原子，可选地取代为一个羟基基团，并且可能含有一个环结构，在其中至少有一个不带羟基基团的碳原子被一个或多个卤原子或偶氮基取代；以及I的前体药物，其中一个或多个羟基被掩蔽为在体内可以重新转化为羟基的基团，可以是纯形式或混合物。这些化合物表现出抗炎和免疫调节作用，以及在诱导细胞分化和抑制某些细胞不良增殖方面的强活性。这些化合物是通过氧化1(S),3(R)-双-(叔丁基二甲基硅氧基)-20(S)甲酰-9,10-去甲孕烷-5(E),7(E),10(19)-三烯，还原所得产物；烷基化还原产物，然后将烷基化产物暴露于三重态敏化光异构化来制备的。
• Biernacki, Wladyslaw; Gdula, Andrzej, Polish Journal of Chemistry, 1981, vol. 55, # 4, p. 849 - 852
  作者：Biernacki, Wladyslaw、Gdula, Andrzej

  DOI：——

  日期：——
• BIERNACKI, W.;GDULA, A., POL. J. CHEM., 1981, 55, N 4, 849-852
  作者：BIERNACKI, W.、GDULA, A.

  DOI：——

  日期：——
• NOVEL VITAMIN D ANALOGUES
  申请人：LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB)

  公开号：EP0662953B1

  公开（公告）日：1997-06-18
• US5612325A
  申请人：——

  公开号：US5612325A

  公开（公告）日：1997-03-18