丙烷-1,1,3,3-四羧酸 | 4721-45-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 丙烷-1,1,3,3-四羧酸
• 英文名称: propane-1,1,3,3-tetracarboxylic acid
• 英文别名: Propan-1,1,3,3-tetracarbonsaeure；Propane-tetracarboxylic acid
• CAS: 4721-45-3
• 化学式: C₇H₈O₈
• 分子量: 220.136
• InChiKey: NJEVMKZODGWUQT-UHFFFAOYSA-N

物化性质

• 沸点：
  422.4±45.0 °C(Predicted)
• 密度：
  1.784±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  149
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  丙烷-1,1,3,3-四羧酸 生成 戊二酸 、 二氧化碳
  参考文献：
  名称：

  Conrad; Guthzeit, Justus Liebigs Annalen der Chemie, 1884, vol. 222, p. 253

  摘要：

  DOI：
• 作为产物：
  描述：

  四乙基丙-1-烯-1,1,3,3-四羧酸酯 在 sodium amalgam 作用下， 生成 丙烷-1,1,3,3-四羧酸
  参考文献：
  名称：

  Conrad; Guthzeit, Justus Liebigs Annalen der Chemie, 1884, vol. 222, p. 253

  摘要：

  DOI：

文献信息

• Thioimidazolidine derivatives as light stabilizers for polymers
  申请人：——

  公开号：US20030109609A1

  公开（公告）日：2003-06-12

  A compound of the formula (I) wherein G 1 , G 2 , G 3 and G 4 are independently of one another C 1 -C 18 alkyl or C 5 -C 12 cycloalkyl or the radicals G 1 and G 2 and the radicals G 3 and G 4 form independently of one another, together with the carbon atom they are attached to, C 5 -C 12 cycloalkyl; R is hydrogen, C 1 -C 18 alkyl, oxyl, —OH, —CH 2 CN, C 3 -C 6 alkenyl, C 3 -C 8 alkynyl, C 7 -C 12 phenylalkyl unsubstituted or substituted on the phenyl radical by C 1 -C 4 alkyl and/or C 1 -C 4 alkoxy; C 1 -C 8 acyl, C 1 -C 18 alkoxy, C 1 -C 18 hydroxyalkoxy, C 2 -C 18 alkenyloxy, C 5 -C 12 cycloalkoxy, C 7 -C 12 phenylalkoxy unsubstituted or substituted on the phenyl radical by C 1 -C 4 alkyl and/or C 1 -C 4 alkoxy: C 1 -C 18 alkanoyloxy, (C 1 -C 18 alkoxy)carbonyl, glycidyl or a group —CH 2 CH(OH)(G) with G being hydrogen, methyl or phenyl; n is 1, 2, 3 or 4; and X is an organic radical of a valency equal to n; and when n is 2, 3 or 4, each of the radicals G 1 , G 2 , G 3 , G 4 and R can have the same or a different meaning in the units of the formula (II), is useful for stabilizing an organic material against degradation induced by light, heat or oxidation.

  式（I）的化合物，其中G1、G2、G3和G4彼此独立地是C1-C18烷基或C5-C12环烷基，或者基团G1和G2以及基团G3和G4彼此独立地与它们附着的碳原子一起形成C5-C12环烷基；R是氢、C1-C18烷基、氧基、—OH、—CH2CN、C3-C6烯基、C3-C8炔基、C7-C12苯基烷基，未取代或通过C1-C4烷基和/或C1-C4烷氧基取代苯基上的苯基基团；C1-C8酰基、C1-C18烷氧基、C1-C18羟基烷氧基、C2-C18烯氧基、C5-C12环烷氧基，未取代或通过C1-C4烷基和/或C1-C4烷氧基取代苯基上的C7-C12苯基氧基；C1-C18烷酰氧基、（C1-C18烷氧基）羰基、环氧乙基或一个基团—CH2CH(OH)(G)，其中G是氢、甲基或苯基；n为1、2、3或4；X是价数等于n的有机基团；当n为2、3或4时，式（II）的各单元中的G1、G2、G3、G4和R的每一个可以具有相同或不同的含义，对于抵抗光、热或氧化引起的有机材料降解具有稳定作用。
• Imidazolidinone derivatives
  申请人：——

  公开号：US20030073835A1

  公开（公告）日：2003-04-17

  A compound of the formula (IA) or (IB) 1 wherein G 1 , G 2 , G 3 and G 4 are independently of one another C 1 -C 18 alkyl or C 5 -C 12 cycloalkyl or the radicals G 1 and G 2 and the radicals G 3 and G 4 form independently of one another, together with the carbon atom they are attached to, C 5 -C 12 cycloalkyl; R is hydrogen C 1 -C 18 alkyl, C 1 -C 18 hydroxyalkyl, C 2 -C 18 alkenyl, C 5 -C 12 cycloalkyl, C 7 -C 12 phenylalkyl unsubstituted or substituted on the phenyl radical by C 1 -C 4 alkyl and/or C 1 -C 4 alkoxy; or C 1 -C 18 alkanoyl; R* is hydrogen, C 1 -C 18 alkyl, oxyl, —OH, —CH 2 CN, C 3 -C 6 alkenyl, C 3 -C 8 alkynyl, C 7 -C 12 phenylalkyl unsubstituted or substituted on the phenyl radical by C 1 -C 4 alkyl and/or C 1 -C 4 alkoxy; C 1 -C 8 acyl, C 1 -C 18 alkoxy, C 1 -C 18 hydroxyalkoxy, C 2 -C 18 alkenyloxy, C 5 -C 12 cycloalkoxy, C 7 -C 12 phenylalkoxy unsubstituted or substituted on the phenyl radical by C 1 -C 4 alkyl and/or C 1 -C 4 alkoxy; C 1 -C 18 alkanoyloxy, (C 1 -C 18 alkoxy)carbonyl, glycidyl or a group —CH 2 CH(OH)(G) with G being hydrogen, methyl or phenyl; n is 1, 2, 3 or 4; n* is 1, 2 or 3; X is an organic radical of a valency equal to n; and X* is a triazinic radical with a valency equal to n*; with the proviso that when n is 1, R is methyl, ethyl, propyl, C 1 -C 18 hydroxyalkyl, C 2 -C 18 alkenyl, C 5 -C 12 cycloalkyl or C 1 -C 18 alkanoyl. The compounds described above are useful for stabilizing an organic material against degradation induced by light, heat or oxidation.

  式（IA）或（IB）的化合物 其中 G 1 ，G 2 ，G 3 和G 4 分别独立地为C 1 -C 18 烷基或C 5 -C 12 环烷基，或基团G 1 和G 2 以及基团G 3 和G 4 独立地形成，与它们连接的碳原子一起，为C 5 -C 12 环烷基； R为氢C 1 -C 18 烷基，C 1 -C 18 羟基烷基，C 2 -C 18 烯基，C 5 -C 12 环烷基，C 7 -C 12 苯基烷基未取代或通过C 1 -C 4 烷基和/或C 1 -C 4 烷氧基取代苯基上的苯基基团；或C 1 -C 18 酰基； R*为氢，C 1 -C 18 烷基，氧基，—OH，—CH 2 CN，C 3 -C 6 烯基，C 3 -C 8 炔基，C 7 -C 12 苯基烷基未取代或通过C 1 -C 4 烷基和/或C 1 -C 4 烷氧基取代苯基上的苯基基团；C 1 -C 8 酰基，C 1 -C 18 烷氧基，C 1 -C 18 羟基烷氧基，C 2 -C 18 烯氧基，C 5 -C 12 环烷氧基，C 7 -C 12 苯基烷氧基未取代或通过C 1 -C 4 烷基和/或C 1 -C 4 烷氧基取代苯基上的苯基基团；C 1 -C 18 酰氧基，（C 1 -C 18 烷氧基）羰基，环氧乙烷或一个基团—CH 2 CH(OH)(G)，其中G为氢，甲基或苯基； n为1、2、3或 4； n*为1、2或3； X为价数等于n的有机基团；和 X*为价数等于n*的三嗪基团； 但是当n为1时，R为甲基、乙基、丙基、C 1 -C 18 羟基烷基、C 2 -C 18 烯基、C 5 -C 12 环烷基或C 1 -C 18 酰基。 上述描述的化合物对于稳定有机材料抵抗光、热或氧化引起的降解是有用的。
• Isethionyl nitrates and compounds thereof
  申请人：Whewell J. Christopher

  公开号：US20060293384A1

  公开（公告）日：2006-12-28

  The present invention provides nitric ester compound corresponding to the formula: in which the cation M is selected from the group consisting of: hydrogen, alkali metal cations, alkaline earth metal cations, Group III metal cations, transition metal cations, ammonium ions (including organic-substituted ammonium cations), including mixtures of any two or more of the foregoing; R 1 and R 2 are each independently selected from the group consisting of: hydrogen and a C 1 to C 6 hydrocarbyl group; n represents the valence of the cation, including the integers 1, 2, and 3; X is an anion selected from the group consisting of: fluoride, chloride, bromide, iodide, nitrate, nitrite, phosphate, phosphate, monohydrogen phosphate, taurate, dihydrogen phosphate, monohydrogen sulfate, sulfate, carbonate, bicarbonate, hydroxide, carboxylate, dicarboxylate and polycarboxylate anions; y is the valence of the anionic species X and may be 1, 2, or 3; p may be any integer including 1, 2, and 3, subject to the proviso that p is not greater than n; q may be any integer selected from the group consisting of: 0, 1, 2, 3 subject to the proviso that q is not greater than n−p, and further subject to the provisos that the sum of p plus the product of (y times q) equals the valence n of the cation M and that p is not equal to zero. The compounds of the invention are useful as coronary vasodilators.

  本发明提供了一种对应于以下式的硝酸酯化合物：其中，阳离子M选自以下组：氢、碱金属阳离子、碱土金属阳离子、III族金属阳离子、过渡金属阳离子、铵离子（包括有机取代的铵阳离子），包括任意两种或更多的混合物；R1和R2各自独立地选自以下组：氢和C1到C6的烃基；n表示阳离子的价，包括整数1、2和3；X是从以下组中选择的阴离子：氟离子、氯离子、溴离子、碘离子、硝酸盐、亚硝酸盐、磷酸盐、单氢磷酸盐、牛磺酸盐、二氢磷酸盐、单氢硫酸盐、硫酸盐、碳酸盐、氢碳酸盐、羟基、羧酸盐、二羧酸盐和多羧酸盐阴离子；y是阴离子种类X的价，可以是1、2或3；p可以是任何整数，包括1、2和3，但p不能大于n；q可以是从以下组中选择的任何整数：0、1、2、3，但q不能大于n-p，并且还受到以下规定的限制：p加上（y乘以q的积）等于阳离子M的价n，且p不等于零。本发明的化合物可用作冠状动脉扩张剂。
• USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS
  申请人：GERET Laurence

  公开号：US20060247144A1

  公开（公告）日：2006-11-02

  An automatic dishwasher detergent formulation comprising:—a) a metal complex compound of formula (1) [L n Me m X p ] z Y q (1), wherein Me is manganese, titanium, iron, cobalt, nickel or copper, X is a coordinating or bridging radical, n and m are each independently of the other an integer having a value of from 1 to 8, p is an integer having a value of from 0 to 32, z is the charge of the metal complex, Y is a counter-ion, q=z/(charge Y), and L is a ligand of formula (2) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 and R 11 are each independently of the others hydrogen; unsubstituted or substituted C 1 -C 18 alkyl or aryl; cyano; halogen; nitro; —COOR 12 or —SO 3 R 12 wherein R 12 is in each case hydrogen, a cation or unsubstituted or substituted C 1 -C 18 alkyl or aryl; —SR 13 , —SO 2 R 13 or —OR 13 wherein R 13 is in each case hydrogen or unsubstituted or substituted C 1 -C 18 alkyl or aryl; —NR 14 R 15 ; —(C 1 -C 6 alkylene)-NR 14 R 15 ; —N ⊕ R 14 R 15 R 16 ; —(C 1 -C 6 alkylene)-N ⊕ R 14 R 15 R 16 ; —N(R 13 )—(C 1 -C 6 alkylene)-NR 14 R 15 ; —N[(C 1 -C 6 alkylene)-NR 14 R 15 ] 2 ; —N(R 13 )—(C 1 -C 6 alkylene)-N ⊕ R 14 R 15 R 16 , —N[(C 1 -C 6 alkylene)-N ⊕ R 14 R 15 R 16 ] 2 ; —N(R 13 )—N—R 14 R 15 or —N(R 13 )—N ⊕ R 14 R 15 R 16 , wherein R 13 is as defined above and R 14 , R 15 and R 16 are each independently of the other(s) hydrogen or unsubstituted or substituted C 1 -C 18 alkyl or aryl, or R 14 and R 15 together with the nitrogen atom bonding them form an unsubstituted or substituted 5-, 6- or 7-membered ring which may optionally contain further heteroatoms; with the proviso that (i) at least one of the substituents R 1 —R 11 contains a quaternized nitrogen atom which is not directly bonded to one of the three pyridine rings A, B or C and that (ii) Y is neither I − nor Cl − in the case that Me is Mn(II), R 1 —R 5 and R 7 —R 11 are hydrogen and R 6 is as catalysts for oxidation reactions; and b) a sulphonated polymer

  一种自动洗碗机洗涤剂配方，包括：- 公式（1）中的金属配合物化合物[LnMemXp]zYq（1），其中Me为锰、钛、铁、钴、镍或铜，X为配位或桥接基团，n和m分别独立地为1至8的整数，p为0至32的整数，z为金属配合物的电荷，Y为反离子，q = z /（Y电荷），L为公式（2）中的配体其中R1，R2，R3，R4，R5，R6，R7，R8，R9，R10和R11各自独立地为氢; 未取代或取代的C1-C18烷基或芳基; 氰基; 卤素; 硝基; -COOR12或-SO3R12，其中R12在每种情况下均为氢，阳离子或未取代或取代的C1-C18烷基或芳基; -SR13，-SO2R13或-OR13，其中R13在每种情况下均为氢或未取代或取代的C1-C18烷基或芳基; -NR14R15; -(C1-C6烷基)-NR14R15; -N⊕R14R15R16; -(C1-C6烷基)-N⊕R14R15R16; -N（R13） -（C1-C6烷基）-NR14R15; -N [（C1-C6烷基）-NR14R15]2; -N（R13） -（C1-C6烷基）-N⊕R14R15R16，-N [（C1-C6烷基）-N⊕R14R15R16]2; -N（R13） -N-R14R15或-N（R13） -N⊕R14R15R16，其中R13如上定义，而R14、R15和R16各自独立地为氢或未取代或取代的C1-C18烷基或芳基，或R14和R15与它们连接的氮原子形成未取代或取代的5、6或7元环，该环可以选择包含进一步的杂原子; 前提是（i）至少一个取代基R1-R11包含一个季铵氮原子，该氮原子未直接与三个吡啶环A、B或C之一结合，且（ii）在Me为Mn（II），R1-R5和R7-R11为氢，R6为氧化反应的催化剂的情况下，Y既不是I-也不是Cl-; 和b）磺化聚合物。
• Use of metal complex compounds as oxidation catalysts
  申请人：Wiedemann Ralf

  公开号：US20070135323A1

  公开（公告）日：2007-06-14

  An automatic dishwasher detergent formulation comprising:—(a) a metal complex compounds of formula (1)[L n Me m ,X p ] z Y q wherein Me is manganese, titanium, iron, cobalt, nickel or copper, X is a coordinating or bridging radical, n and m are each independently of the other an integer having a value of from 1 to 8, p is an integer having a value of from 0 to 32, z is the charge of the metal complex, Y is a counter-ion, q=z/(charge Y), and L is a ligand of formula (2); wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 and R 11 are each independently of the others hydrogen; unsubstituted or substituted C 1 -C 18 alkyl or aryl; cyano; halogen; nitro; —COOR 12 or —SO 3 R 12 wherein R 12 is in each case hydrogen, a cation or unsubstituted or substituted C 1 -C 18 alkyl or aryl; SR 13 , —SO 2 R 13 or −OR 13 wherein R 13 is in each case hydrogen or unsubstituted or substituted C 1 -C 18 alkyl or aryl; —N(R 13 )—NR′ 13 R″ 13 wherein R 13 , R′ 13 and R″ 13 are as defined above for R 13 ; —NR 14 NR 15 or —N ⊕ R 14 R 15 R 16 wherein R 14 , R 15 and R 16 are each independently of the other(s) hydrogen or unsubstituted or substituted C 1 -C 18 alkyl or aryl, or R 14 and R 15 together with the nitrogen atom bonding them from an unsubstituted or substituted 5-, 6- or 7-membered ring which may optionally contain further hetero atoms; with the proviso that R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 and R 11 are not simultaneously hydrogen, as a catalyst for oxidation reactions; and (b) an enzyme.

  一种自动洗碗机洗涤剂配方，包括：(a) 公式(1)的金属配合物化合物[LnMem,Xp]zYq，其中Me是锰、钛、铁、钴、镍或铜，X是配位或桥接基团，n和m是各自独立的整数，其值为1至8，p是整数，其值为0至32，z是金属配合物的电荷，Y是反离子，q=z/(反离子Y的电荷)，L是公式(2)的配体；其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10和R11各自独立的为氢、未取代或取代的C1-C18烷基或芳基、氰基、卤素、硝基、—COOR12或—SO3R12，其中R12在每种情况下为氢、阳离子或未取代或取代的C1-C18烷基或芳基；SR13、—SO2R13或—OR13，其中R13在每种情况下为氢或未取代或取代的C1-C18烷基或芳基；—N(R13)—NR′13R″13，其中R13、R′13和R″13如上所述为R13；—NR14NR15或—N⊕R14R15R16，其中R14、R15和R16各自独立的为氢或未取代或取代的C1-C18烷基或芳基，或R14和R15与它们结合的氮原子形成未取代或取代的5-、6-或7-成员环，该环可以选择性地包含进一步的杂原子；但是，R1、R2、R3、R4、R5、R6、R7、R8、R9、R10和R11不同时为氢，作为氧化反应的催化剂；和(b) 一种酶。