3,16-dioxooctadecanedioic acid diethyl ester | 349560-39-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 3,16-dioxooctadecanedioic acid diethyl ester
• 英文别名: Diethyl 3,16-dioxooctadecanedioate
• CAS: 349560-39-0
• 化学式: C₂₂H₃₈O₆
• 分子量: 398.54
• InChiKey: UQEQRIKEXGGQMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  28
• 可旋转键数：
  21
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• Guanidinopyrimidinone compounds and phase change inks containing same
  申请人：Xerox Corporation

  公开号：US20040060474A1

  公开（公告）日：2004-04-01

  Disclosed are compounds of the formulae 1 wherein, provided that at least one of R 1 , R 2 , and R 3 is not a hydrogen atom, R 1 , R 2 , and R 3 each, independently of the other, is (i) a hydrogen atom, (ii) an alkyl group, (iii) an aryl group, (iv) an arylalkyl group, or (v) an alkylaryl group, and wherein R 1 and R 2 can also be (vi) an alkoxy group, (vii) an aryloxy group, (viii) an arylalkyloxy group, (ix) an alkylaryloxy group, (x) a polyalkyleneoxy group, (xi) a polyaryleneoxy group, (xii) a polyarylalkyleneoxy group, (xiii) a polyalkylaryleneoxy group, (xiv) a silyl group, (xv) a siloxane group, (xvi) a polysilylene group, (xvii) a polysiloxane group, or (xviii) a group of the formula 2 wherein r is an integer representing a number of repeat —CH 2 — groups, wherein s is an integer representing a number of repeating —CH 2 — groups, and wherein X is (a) a direct bond, (b) an oxygen atom, (c) a sulfur atom, (d) a group of the formula —NR 40 — wherein R 40 is a hydrogen atom, an alkyl group, an aryl group, an arylalkyl group, or an alkylaryl group, or (e) a group of the formula —CR 50 R 60 — wherein R 50 and R 60 each, independently of the other, is a hydrogen atom, an alkyl group, an aryl group, an arylalkyl group, or an alkylaryl group, and R 10 and R 11 each, independently of the other, is (i) an alkylene group, (ii) an arylene group, (iii) an arylalkylene group, or (iv) an alkylarylene group, and wherein R 10 can also be (v) a polyalkyleneoxy group, (vi) a polyaryleneoxy group, (vii) a polyarylalkyleneoxy group, (viii) a polyalkylaryleneoxy group, (ix) a silylene group, (x) a siloxane group, (xi) a polysilylene group, or (xii) a polysiloxane group. Also disclosed are phase change ink compositions comprising a colorant and a phase change ink carrier comprising a material of this formula.

  本发明揭示了以下化合物的结构式1，其中，如果R1、R2和R3中至少有一个不是氢原子，则R1、R2和R3各自独立地是（i）氢原子，（ii）烷基，（iii）芳基，（iv）芳基烷基，或（v）烷基芳基，其中R1和R2也可以是（vi）烷氧基，（vii）芳氧基，（viii）芳基烷氧基，（ix）烷基芳氧基，（x）聚烷氧基，（xi）聚芳氧基，（xii）聚芳基烷氧基，（xiii）聚烷基芳氧基，（xiv）硅基，（xv）硅氧烷基，（xvi）聚硅烷基，（xvii）聚硅氧烷基，或（xviii）结构式2中的基团，其中r表示重复的—CH2—基团的数量，s表示重复的—CH2—基团的数量，X是（a）直接键，（b）氧原子，（c）硫原子，（d）式—NR40—的基团，其中R40是氢原子，烷基，芳基，芳基烷基或烷基芳基，或（e）式—CR50R60—的基团，其中R50和R60各自独立地是氢原子，烷基，芳基，芳基烷基或烷基芳基，而R10和R11各自独立地是（i）烷基，（ii）芳基，（iii）芳基烷基或（iv）烷基芳基，其中R10还可以是（v）聚烷氧基，（vi）聚芳氧基，（vii）聚芳基烷氧基，（viii）聚烷基芳氧基，（ix）硅烷基，（x）硅氧烷基，（xi）聚硅烷基或（xii）聚硅氧烷基。本发明还揭示了相变油墨组合物，包括颜料和相变油墨载体，该相变油墨载体包括上述化合物之一的材料。
• GUANIDINOPYRIMIDINONE COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME
  申请人：Boils-Boissier Danielle C.

  公开号：US20080171877A1

  公开（公告）日：2008-07-17

  Compounds of the formula wherein, provided that at least one of R 1 , R 2 , and R 3 is not hydrogen, R 1 , R 2 , and R 3 each, independently of the other, is hydrogen, alkyl, aryl, arylalkyl, or alkylaryl, and wherein R 1 and R 2 can also be alkoxy, aryloxy, arylalkyloxy, alkylaryloxy, polyalkyleneoxy, polyaryleneoxy, polyarylalkyleneoxy, polyalkylaryleneoxy, silyl, siloxane, polysilylene, polysiloxane, or wherein X is a direct bond, oxygen, sulfur, —NR 40 — wherein R 40 is hydrogen, alkyl, aryl, arylalkyl, or alkylaryl, or —CR 50 R 60 — wherein R 50 and R 60 each, independently of the other, is hydrogen, alkyl, aryl, arylalkyl, or alkylaryl.

  化合物的结构式为其中，前提是R1、R2和R3中至少有一个不是氢，R1、R2和R3分别独立地是氢、烷基、芳基、芳基烷基或烷基芳基，其中R1和R2还可以是烷氧基、芳氧基、芳基烷氧基、烷基芳氧基、聚烷氧基、聚芳氧基、聚芳基烷氧基、聚烷基芳氧基、硅基、硅氧烷、聚硅基、聚硅氧烷，或其中X是直接键、氧、硫、—NR40—，其中R40是氢、烷基、芳基、芳基烷基或烷基芳基，或—CR50R60—，其中R50和R60各自独立地是氢、烷基、芳基、芳基烷基或烷基芳基。
• US6811595B2
  申请人：——

  公开号：US6811595B2

  公开（公告）日：2004-11-02
• US7371858B2
  申请人：——

  公开号：US7371858B2

  公开（公告）日：2008-05-13
• US7504502B2
  申请人：——

  公开号：US7504502B2

  公开（公告）日：2009-03-17