indane-1,1-dicarboxylic acid | 101640-10-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: indane-1,1-dicarboxylic acid
• 英文别名: 1,1-indanedicarboxylic acid；Indane dicarboxylic acid；2,3-dihydroindene-1,1-dicarboxylic acid
• CAS: 101640-10-2
• 化学式: C₁₁H₁₀O₄
• 分子量: 206.198
• InChiKey: WIGMBAFWGLANJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  indane-1,1-dicarboxylic acid 在 AMDase 、 buffer solution 作用下， 生成 2,3-二氢-1H-茚-1-羧酸
  参考文献：
  名称：

  On the Conformation of the Substrate Binding to the Active Site during the Course of Enzymatic Decarboxylation

  摘要：

  通过动力学方法获得了芳基丙二酸脱羧酶（AMDase）催化丙二酸衍生物酶促脱羧的活化参数。为了了解底物在过渡态时的构象，将茚满-1,1-二羧酸（一种构象受限的代表性分子）的活化熵（ΔS‡）与苯丙二酸和正氯苯丙二酸的活化熵（其中芳香环可以自由旋转）进行了比较。前一种分子的所得值比后一种化合物的所得值小约 10 cal mol-1 K-1，这清楚地表明，构象受限的底物（如茚满衍生物）在酶促脱羧过程中具有熵优势。这些动力学研究清楚地表明，在 AMDase 催化脱羧过程中，底物在过渡态的构象应与正构象和 α-取代基同步。

  DOI：

  10.1246/bcsj.69.3591

文献信息

• NK1 and NK3 antagonists
  申请人：O'Neill T. Brian

  公开号：US20050256164A1

  公开（公告）日：2005-11-17

  The invention is to a compound exhibiting neurokinin inhibitory properties, a pharmaceutical composition comprising same and a method of treatment for neurokinin-mediated conditions.

  这项发明涉及一种具有神经激肽抑制性能的化合物，包括该化合物的药物组合物以及用于神经激肽介导疾病的治疗方法。
• Color in Titanium Catalyzed Polyesters
  申请人：Jenkins Jason Christopher

  公开号：US20120157619A1

  公开（公告）日：2012-06-21

  Described as one aspect of the invention are polyesters comprising (a) a dicarboxylic acid component comprising: (i) 70 to 100 mole % of terephthalic acid residues; (ii) 0 to 30 mole % of aromatic dicarboxylic acid residues having up to 20 carbon atoms; and (iii) 0 to 10 mole % of aliphatic dicarboxylic acid residues having up to 16 carbon atoms; and (b) a glycol component comprising: (i) about 10 to about 90 mole % of ethylene glycol residues; and (ii) about 90 to about 10 mole % of cyclohexanedimethanol residues; (II) residues of at least one titanium compound; and (III) at least one chelating phosphorus species, reaction products thereof, or mixtures thereof, represented by the structure: wherein: n=an integer from 1 to 4; R can be hydrogen or C 1 -C 22 -alkyl; and R1 and R2 each can be hydrogen, C 1 -C 22 -alkyl, hydroxyl, or aryl; wherein the total mole % of the dicarboxylic acid component is 100 mole %, wherein the total mole % of the glycol component is 100 mole %; and wherein the inherent viscosity of the polyester is from 0.35 to 1.2 dL/g as determined in 60/40 (wt/wt) phenol/tetrachloroethane at a concentration of 0.25 g/50 ml at 25° C.

  本发明的一方面是聚酯，包括(a) 包括：(i) 70到100摩尔％的对苯二甲酸残基；(ii) 长度最多为20个碳原子的芳香族二元酸残基，占0到30摩尔％；(iii) 长度最多为16个碳原子的脂肪族二元酸残基，占0到10摩尔％；以及(b) 包括：(i) 约10到约90摩尔％的乙二醇残基；(ii) 约90到约10摩尔％的环己二甲醇残基；(II) 至少一种钛化合物残基；(III) 至少一种螯合磷物种、其反应产物或其混合物，其结构表示为：其中：n为1到4的整数；R可以是氢或C1-C22烷基；R1和R2可以是氢、C1-C22烷基、羟基或芳基；其中，二元酸组分的总摩尔％为100摩尔％，乙二醇组分的总摩尔％为100摩尔％；聚酯的固有粘度在25℃下，在60/40（重量/重量）苯酚/四氯乙烷中以0.25g/50ml浓度测定为0.35到1.2 dL/g。
• Polyesters Containing Particular Phosphorus Compounds Blended with Other Polymers
  申请人：Jenkins Jason Christopher

  公开号：US20120157604A1

  公开（公告）日：2012-06-21

  Described as one aspect of the invention are polymer blends comprising at least one polyester wherein the polymer blend comprises: (A) a polyester composition comprising (I) at least one polyester (Polymer A) which comprises: (a) a dicarboxylic acid component comprising: (i) 70 to 100 mole % of terephthalic acid residues; (ii) 0 to 30 mole % of aromatic dicarboxylic acid residues having up to 20 carbon atoms; and (iii) 0 to 10 mole % of aliphatic dicarboxylic acid residues having up to 16 carbon atoms; and (b) a glycol component comprising: (i) about 10 to about 90 mole % of ethylene glycol residues; and (ii) about 90 to about 10 mole % of cyclohexanedimethanol residues; (II) residues of at least one titanium compound; and (III) at least one chelating phosphorus species, reaction products thereof, or mixtures thereof, represented by the structure: wherein: n=an integer from 1 to 4; R can be hydrogen or C 1 -C 22 -alkyl; and R1 and R2 each can be hydrogen, C 1 -C 22 -alkyl, hydroxyl, or aryl; wherein the total mole % of the dicarboxylic acid component is 100 mole %, wherein the total mole % of the glycol component is 100 mole %; and wherein the inherent viscosity of the polyester is from 0.35 to 1.2 dL/g as determined in 60/40 (wt/wt) phenol/tetrachloroethane at a concentration of 0.25 g/50 ml at 25° C.; and (B) at least one polymeric component other than Polymer A.

  本发明的一方面描述了聚合物混合物，其中至少包括一种聚酯，该聚合物混合物包括：（A）聚酯组成物，包括（I）至少一种聚酯（聚合物A），其包括：（a）二元酸组分，包括：（i）70至100摩尔％的对苯二甲酸残基；（ii）0至30摩尔％的具有最多20个碳原子的芳香族二元酸残基；以及（iii）0至10摩尔％的具有最多16个碳原子的脂肪族二元酸残基；以及（b）二元醇组分，包括：（i）约10至约90摩尔％的乙二醇残基；以及（ii）约90至约10摩尔％的环己二甲醇残基；（II）至少一种钛化合物的残基；以及（III）至少一种螯合磷物种，其反应产物或混合物，由以下结构表示：其中：n = 1至4的整数；R可以是氢或C1-C22烷基；R1和R2可以是氢、C1-C22烷基、羟基或芳基；其中二元酸组分的总摩尔％为100摩尔％，二元醇组分的总摩尔％为100摩尔％；聚酯的固有粘度为0.35至1.2 dL / g，在60/40（重量/重量）苯/四氯乙烷中以0.25 g / 50 ml浓度在25°C下测定；以及（B）至少一种聚合物组分，除了聚合物A。
• Polyester compositions containing cyclobutanediol having a certain combination of inherent viscosity and moderate glass transition temperature and articles made therefrom
  申请人：Eastman Chemical Company

  公开号：EP2332592A1

  公开（公告）日：2011-06-15

  Described are polyesters comprising (a) a dicarboxylic acid component comprising terephthalic acid residues; optionally, aromatic dicarboxylic acid residues or aliphatic dicarboxylic acid residues; 2,2,4,4-tetramethyl-1 ,3- cyclobutanediol residues; and cyclohexanedimethanol residues. The polyesters may be manufactured into articles such as fibers, films, bottles or sheets.

  所述聚酯包含 (a) 二羧酸组分，该组分包括对苯二甲酸残留物；可选的芳香族二羧酸残留物或脂肪族二羧酸残留物；2,2,4,4-四甲基-1,3-环丁二醇残留物；以及环己烷二甲醇残留物。聚酯可制成纤维、薄膜、瓶子或板材等物品。
• Polyester compositions which comprise cyclobutanediol and certain thermal atabilizers, and/or reaction products thereof
  申请人：Eastman Chemical Company

  公开号：EP2333001A1

  公开（公告）日：2011-06-15

  Described as one aspect of the invention are polyester compositions containing: (I) at least one polyester which comprises: (a) a dicarboxylic acid component comprising: (i) 70 to 100 mole % of terephthalic acid residues; (ii) 0 to 30 mole % of aromatic dicarboxylic acid residues having up to 20 carbon atoms; and (iii) 0 to 10 mole % of aliphatic dicarboxylic acid residues having up to 16 carbon atoms; and (b) a glycol component comprising: (i) 1 to 99 mole % of 2,2,4,4-tetramethyl-1,3- cyclobutanediol residues; and (ii) 1 to 99 mole % of cyclohexanedimethanol residues; and (II) at least one thermal stabilizer chosen from at least one of alkyl phosphate esters, aryl phosphate esters, mixed alkyl aryl phosphate esters, reaction products thereof, and mixtures thereof; wherein the total mole % of the dicarboxylic acid component is 100 mole %, and wherein the total mole % of the glycol component is 100 mole %.

  作为本发明的一个方面，所述的聚酯组合物含有：(I) 至少一种聚酯，其中包括：(a) 二羧酸组分，包括：(i) 70 至 100 摩尔%的对苯二甲酸残留物；(ii) 0 至 30 摩尔%的芳香族二羧酸残留物，其碳原子数不超过 20 个；以及 (iii) 0 至 10 摩尔%的脂肪族二羧酸残留物，其碳原子数不超过 16 个；以及 (b) 乙二醇组分，包括：(i) 1 至 99 摩尔%的 2，2，4，4-四甲基-1，3-环丁二醇残留物；以及 (ii) 1 至 99 摩尔%的环己烷二醇残留物：(i) 1 至 99 摩尔％的 2，2，4，4-四甲基-1，3-环丁二醇残基；和 (ii) 1 至 99 摩尔％的环己烷二甲醇残基；和 (II) 至少一种热稳定剂，选自烷基磷酸酯、芳基磷酸酯、混合烷基芳基磷酸酯、其反应产物和其混合物中的至少一种；其中二羧酸组分的总摩尔百分比为 100 摩尔%，乙二醇组分的总摩尔百分比为 100 摩尔%。