methyl 3-hexylundecanoate

• 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: methyl 3-hexylundecanoate
• 化学式: C₁₈H₃₆O₂
• 分子量: 284.483
• InChiKey: DYEWALRSOZHYFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  20
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  辛烯 在 trans-2,3-bis(diphenylphosphinomethyl)norbornane 、 氢气 、 三异丁基铝 、 palladium dichloride 作用下， 以 正己烷 、 邻二甲苯 、 甲苯 为溶剂， 60.0~115.0 ℃ 、3.2 MPa 条件下， 反应 26.41h， 生成 methyl 3-hexylundecanoate
  参考文献：
  名称：

  Synthesis of methyl β-alkylcarboxylates by Pd/diphosphine-catalyzed methoxycarbonylation of methylenealkanes RCH2CH2C(R)=CH2

  摘要：

  A series of methylenealkanes RCH2CH2(R)C = CH2 (R = n-butyl, n-hexyl, isopropyl and isobutyl), which are products of selective zirconocene-catalyzed dimerization of alpha-olefins, were introduced into Pd-catalyzed methoxycarbonylation. With the use of 5-methyleneundecane (1-hexene dimer) as a substrate, the roles of protic acid, Lewis acid and molecular hydrogen were established for model Pd(ll)/PPh3 and Pd(II)/diphosphine catalysts.A series of bridged diphosphines were studied as catalyst components L in PdCl2/L-catalyzed methoxycarbonylation in the presence of H-2. One of the nine diphosphines studied, trans-2,3-bis(diphenylphosphinomethyl)norbomane, demonstrated the best catalytic results in terms of catalytic activity, selectivity and isolated yields of the products. Under the optimized conditions during 24 h experiments, dimers RCH2CH2(R)C = CH2 were transformed to methyl carboxylates RCH2CH2(R)CHCH2COOMe with 99 +% regioselectivity; isolated yields were 62-81%.In that way, the catalytic methoxycarbonylation of synthetically available methylenealkanes is an effective approach to branched carboxylic acids, with high prospects for practical application.

  DOI：

  10.1016/j.apcata.2019.05.030

文献信息

• Carbonyl Compound Containing Long-Chain Branched Alkyl Group
  申请人：Sato Haruhito

  公开号：US20070282123A1

  公开（公告）日：2007-12-06

  A long-chain branched alkyl group-containing primary carbonyl compound which excels in low temperature fluidity and biodegradability and possesses a high boiling point, and a synthetic lubricant are provided. The carbonyl compound represented by the following formula [1] excels in low temperature fluidity and biodegradability and possesses a high boiling point, wherein X is hydrogen, a hydroxy group, an alkoxy group or a group derived from a polyol, and n is 4 to 30. The compound is suitably used in lubricating oils.

  提供了一种含有长链支化烷基的一级羰基化合物，其在低温流动性和生物降解性方面表现出色，并具有较高的沸点，以及一种合成润滑剂。以下式[1]所表示的羰基化合物在低温流动性和生物降解性方面表现出色，并具有较高的沸点，其中X为氢，羟基，烷氧基或由多元醇衍生的基团，n为4至30。该化合物适用于润滑油中。
• CARBONYL COMPOUND CONTAINING LONG-CHAIN BRANCHED ALKYL GROUP
  申请人：IDEMITSU KOSAN CO., LTD.

  公开号：EP1710225A1

  公开（公告）日：2006-10-11

  A long-chain branched alkyl group-containing primary carbonyl compound which excels in low temperature fluidity and biodegradability and possesses a high boiling point, and a synthetic lubricant are provided. The carbonyl compound represented by the following formula [1] excels in low temperature fluidity and biodegradability and possesses a high boiling point, wherein X is hydrogen, a hydroxy group, an alkoxy group or a group derived from a polyol, and n is 4 to 30. The compound is suitably used in lubricating oils.

  本发明提供了一种低温流动性和生物降解性优异且沸点较高的含长链支链烷基的伯羰基化合物和一种合成润滑剂。 下式 [1] 所代表的羰基化合物具有优异的低温流动性和生物降解性，并具有较高的沸点、 其中 X 是氢、羟基、烷氧基或来自多元醇的基团，n 是 4 至 30。该化合物适用于润滑油。
• ULTRAVIOLET ABSORBENT COMPOSITION
  申请人：Hanaki Naoyuki

  公开号：US20100025642A1

  公开（公告）日：2010-02-04

  An ultraviolet absorbent composition, containing: at least one kind of ultraviolet absorbent A having an absorption maximum wavelength of from 350 nm to 400 nm, a half value width of 55 nm or less and a molar extinction coefficient of 20,000 or more at the absorption maximum wavelength; and at least one kind of ultraviolet absorbent B having an absorption maximum wavelength of 350 nm or less and showing 30% or more of absorbance at 320 nm of the absorbance at the absorption maximum wavelength.
• HETEROCYCLIC COMPOUND, ULTRAVIOLET ABSORBENT AND COMPOSITION CONTAINING THE SAME
  申请人：Hanaki Naoyuki

  公开号：US20100210762A1

  公开（公告）日：2010-08-19

  A compound represented by formula (I-1): wherein R 21 , R 22 , R 23 and R 24 each independently represent a hydrogen atom or a monovalent substituent, with the proviso that compounds, in which R 21 , R 22 , R 23 and R 24 each are an alkylthio group, are excluded; R 21 and R 22 and/or R 23 and R 24 each may bond to each other to form a ring, with the proviso that compounds, in which the formed ring is a dithiol ring or a dithiolane ring, are excluded; R 25 and R 26 each independently represent a hydrogen atom or a monovalent substituent; X 21 , X 22 , X 23 and X 24 each independently represent a hetero atom; compounds, wherein R 21 , R 22 , R 23 and R 24 each represent a cyan group; X 21 , X 22 , X 23 and X 24 each represent a sulfur atom; and R 25 and R 26 each represent a hydroxyl group or a hydrogen atom, are excluded; and compounds, wherein R 21 and R 23 each represent a hydrogen atom; R 22 and R 24 each represent an arylcarbonyl group; X 21 , X 22 , X 23 and X 24 each represent a sulfur atom; and R 25 and R 26 each represent a hydroxyl group, are excluded; and an ultraviolet absorbent, which has molecular weight of 10,000 or less and molar extinction coefficient at the maximum absorption wavelength of the ultraviolet absorbent of 80,000 or more.
• US7402610B2
  申请人：——

  公开号：US7402610B2

  公开（公告）日：2008-07-22