4-methyl-1,4-heptanediol | 72473-94-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-methyl-1,4-heptanediol
• 英文别名: 4-Methylheptane-1,4-diol
• CAS: 72473-94-0
• 化学式: C₈H₁₈O₂
• 分子量: 146.23
• InChiKey: AJZGLFMCYYLGCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 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：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  甲酸 、 4-methyl-1,4-heptanediol 在 硫酸 作用下， 反应 1.4h， 以95%的产率得到3-methyl-3-propyloxan-2-one
  参考文献：
  名称：

  在浓硫酸存在下通过甲酸或铜 (I) 羰基化一级、三级 1,4-二醇的羧化反应，简便且高度选择性地合成 2,2-二烷基-1,5-内酯

  摘要：

  在室温和大气压下，在 97∼100% H2SO4 存在下，伯、叔 1,4-二醇与 100% 甲酸或铜 (I) 羰基化合物和一氧化碳的羧化反应得到 2,2-二烷基取代的 1 ,5-内酯产量高。

  DOI：

  10.1246/cl.1982.1187
• 作为产物：
  描述：

  3-氯丙基苯基醚 、 2-戊酮 在 di(tert-butyl)-biphenyl 、 lithium 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 2.08h， 以21%的产率得到4-methyl-1,4-heptanediol
  参考文献：
  名称：

  3-Chloropropyl and 4-Chlorobutyl Phenyl Ethers as Sources of 1,3-Dilithiopropane and 1,4-Dilithiobutane:  Sequential Reaction with Carbonyl Compounds

  摘要：

  The reaction of 3-chloropropyl and 4-chlorobutyl phenyl ethers (1) with lithium powder and a catalytic amount of DTBB (5% molar) in THF at -78 degrees C followed by successive treatment with a carbonyl compound [(RRCO)-R-1-C-2 = (BuCHO)-C-t, Me2CO, (CH2)(5)CO, (-)-menthone] at -78 to 20 degrees C and, after 1.5 h at this temperature, with a second one [(RRCO)-R-3-C-4 = (BuCHO)-C-t, PhCHO, Me2CO, MeCOPrn, (CH2)(5)CO, (-)-menthone] at -78 degrees C leads,after hydrolysis with water, to the corresponding 1,5- and 1,6-diols (2). Because of the competition of two different reductive cleavages, 1,4- and 1,5-diols 3 were also obtained as side-reaction products.

  DOI：

  10.1021/jo000039m

文献信息

• Concentrated, stable, preferably clear, fabric softening composition
  申请人：Trinh Toan

  公开号：US20060058215A1

  公开（公告）日：2006-03-16

  Principal solvents, especially mono-ol and diol principal solvents, having a ClogP of from about 0.15 to about 0.64, preferably from about 0.25 to about 0.62, and more preferably from about 0.40 to about 0.60, are disclosed that have the ability to make clear aqueous fabric softener compositions containing relatively high concentrations of fabric softener actives having ester linkages in their long, hydrophobic chains. The fabric softener actives are either unsaturated, or have intermediate length chains (˜C 12-14 ) and the said principal solvents are used at levels of less than about 40%. Other solvents may be present. Some of the said principal solvents are novel compounds and/or novel mixtures. Premixes of the fabric softening actives, the principal solvents, and, optionally, other solvents are useful in the preparation of complete formulations by obviating/limiting the need for heating.

  本发明揭示了主要溶剂，特别是具有ClogP约为0.15至0.64，优选为约0.25至0.62，更优选为约0.40至0.60的单醇和二醇主要溶剂，具有制备含有长的亲水性链中酯键的织物柔软剂活性成分相对较高浓度的清澈水性织物柔软剂组合物的能力。织物柔软剂活性成分要么是不饱和的，要么具有中等长度的链（约C12-14），所述主要溶剂的使用量低于约40％。其他溶剂可能存在。其中一些主要溶剂是新化合物和/或新混合物。织物柔软剂活性成分、主要溶剂和可选的其他溶剂的预混物可用于通过消除/限制加热的需要来制备完整配方。
• CONCENTRATED, STABLE, PREFERABLY CLEAR, FABRIC SOFTENING COMPOSITION CONTAINING AMINE FABRIC SOFTENER
  申请人：——

  公开号：US20020155983A1

  公开（公告）日：2002-10-24

  Amine fabric softener actives are prepared in dispersion and/or clear form with materials to improve performance by increasing the cationic charge density. These materials include polycationic compounds, especially cationic polymers; single long-chain cationic compounds; and carboxylic acids that increase the acidity in the rinse thus lowering pH and increasing the percentage of amine fabric softener active that is protonatect. Antistatic properties are also improved.

  胺类织物柔软剂活性物质以分散和/或透明形式与材料一起制备，通过提高阳离子电荷密度来改善性能。这些材料包括多阳离子化合物，尤其是阳离子聚合物；单个长链阳离子化合物；以及可增加冲洗液酸度的羧酸，从而降低 pH 值并增加质子活性胺类织物柔软剂的百分比。抗静电性能也得到了改善。
• FUJITA TSUTOMU; WATANABE SHOJI; SUGA KYOICHI; INABA TERUHIKO, J. CHEM. TECHNOL. AND BIOTECHNOL., 1979, 29, NO 2, 100-106
  作者：FUJITA TSUTOMU、 WATANABE SHOJI、 SUGA KYOICHI、 INABA TERUHIKO

  DOI：——

  日期：——
• TAKAHASHI, YUKIO;YONEDA, NORIHIKO;NAGAI, HIROSHI, CHEM. LETT., 1982, N 8, 1187-1188
  作者：TAKAHASHI, YUKIO、YONEDA, NORIHIKO、NAGAI, HIROSHI

  DOI：——

  日期：——
• CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP0839179A1

  公开（公告）日：1998-05-06