2-苯基戊二酸 | 2628-87-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-苯基戊二酸
• 英文名称: 2-phenylglutaric acid
• 英文别名: 2-phenylpentanedioic acid；(+/-)-2-Phenyl-glutarsaeure；α-Phenyl-glutarsaeure
• CAS: 2628-87-7
• 化学式: C₁₁H₁₂O₄
• 分子量: 208.214
• InChiKey: GOEBEEJCYYXSFT-UHFFFAOYSA-N

物化性质

• 熔点：
  84-85℃
• 沸点：
  362.7±22.0 °C(Predicted)
• 密度：
  1.287

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• 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：

  2-苯基戊二酸 在 乙酰氯 、 奎宁 作用下， 生成 (S)-2-phenyl-glutaric acid-anhydride
  参考文献：
  名称：

  The Absolute Configuration of Plant Growth Substances—Partially Hydrogenated 1-Naphthoic Acids¹

  摘要：

  DOI：

  10.1021/ja01513a044
• 作为产物：
  描述：

  2-Phenyl-glutarsaeure-1-anilid 在 盐酸 作用下， 生成 2-苯基戊二酸
  参考文献：
  名称：

  Hauptmann,S.; Hirschberg,K., Journal fur praktische Chemie (Leipzig 1954), 1966, vol. 34, p. 262 - 271

  摘要：

  DOI：

文献信息

• Pentafluorophenyl Esters of Dicarboxylic Acids
  作者：Peter Imming、Myung-Hee Jung

  DOI：10.1002/ardp.19953280116

  日期：——

  Di‐ and half‐esters of various dicarboxylic acids and dicarboxylic monoamides with pentafluorophenol were prepared. Their syntheses, properties, and spectroscopic data are reported.

  制备了各种二羧酸和二羧酸单酰胺与五氟苯酚的二酯和半酯。报告了它们的合成、性质和光谱数据。
• INHIBITORS OF C-FMS KINASE
  申请人：Illig Carl R.

  公开号：US20070249593A1

  公开（公告）日：2007-10-25

  The invention is directed to compounds of Formula I: wherein Z, X, J, R 2 and W are set forth in the specification, as well as solvates, hydrates, tautomers and pharmaceutically acceptable salts thereof, that inhibit protein tyrosine kinases, especially c-fms kinase. Methods of treating autoimmune diseases; and diseases with an inflammatory component; treating metastasis from ovarian cancer, uterine cancer, breast cancer, prostate cancer, lung cancer, colon cancer, stomach cancer, hairy cell leukemia; and treating pain, including skeletal pain caused by tumor metastasis or osteoarthritis, or visceral, inflammatory, and neurogenic pain; as well as osteoporosis, Paget's disease, and other diseases in which bone resorption mediates morbidity including rheumatoid arthritis, and other forms of inflammatory arthritis, osteoarthritis, prosthesis failure, osteolytic sarcoma, myeloma, and tumor metastasis to bone with the compounds of Formula I, are also provided.

  本发明涉及式I化合物：其中Z、X、J、R2和W在说明书中规定，以及抑制蛋白酪氨酸激酶，尤其是c-fms激酶的溶剂化物、水合物、互变异构体和药用盐。治疗自身免疫病；和治疗具有炎症成分的疾病；治疗来自卵巢癌、子宫癌、乳腺癌、前列腺癌、肺癌、结肠癌、胃癌、毛细胞白血病的转移；和治疗疼痛，包括由肿瘤转移或骨关节炎引起的骨骼疼痛，或内脏、炎症性和神经性疼痛；以及骨质疏松症、佩吉特病，以及骨吸收介导病状的其它疾病，包括类风湿性关节炎、其它形式的炎症性关节炎、骨关节炎、假体失败、溶骨肉瘤、骨髓瘤和骨转移瘤，也提供了式I化合物。
• Direct and Selective Synthesis of Adipic and Other Dicarboxylic Acids by Palladium‐Catalyzed Carbonylation of Allylic Alcohols
  作者：Ji Yang、Jiawang Liu、Yao Ge、Weiheng Huang、Helfried Neumann、Ralf Jackstell、Matthias Beller

  DOI：10.1002/anie.202008916

  日期：2020.11.9

  A general and direct synthesis of dicarboxylic acids including industrially important adipic acid by palladium‐catalyzed dicarbonylation of allylic alcohol is reported. Specifically, the combination of PdCl2 and a bisphosphine ligand (HeMaRaphos) promotes two different carbonylation reactions with high activity and excellent selectivity.

  据报道，通过钯催化烯丙基醇的二羰基化，可以直接合成包括工业上重要的己二酸在内的二羧酸。具体而言，PdCl 2和双膦配体（HeMaRaphos）的组合可促进两个不同的羰基化反应，并具有高活性和出色的选择性。
• Lipase-Catalyzed Regioselective Monoacetylation of Unsymmetrical 1,5-Primary Diols
  作者：Camille Oger、Zsuzsanna Marton、Yasmin Brinkmann、Valérie Bultel-Poncé、Thierry Durand、Marianne Graber、Jean-Marie Galano

  DOI：10.1021/jo902541c

  日期：2010.3.19

  Lipase B from Candida antarctica (CALB) has been selected as the most suitable enzyme to catalyze the regioselective monoacetylation of 1,5-diol isoprostane intermediate, using vinyl acetate as an acyl transfer reagent in THF. We next applied this reaction on linear 2-substituted, 2,2′-disubstituted-1,5-pentanediols, and cyclic 2,3-disubstituted-1,5-pentanediols. To rationalize the regioselectivity

  已选择南极假丝酵母（CALB）的脂肪酶B作为最合适的酶，使用乙酸乙烯酯作为THF中的酰基转移试剂来催化1,5-二醇异前列腺素中间体的区域选择性单乙酰化。接下来，我们将该反应应用于直链的2-取代的2,2'-二取代的1,5-戊二醇和环状的2,3-二取代的1,5-戊二醇。为了使观察到的区域选择性合理化，进行了分子对接模拟。
• Formation of Two 1D Polymeric Water Morphologies
  作者：Feng Li、Tao‐Hai Li、Wei Su、Shui‐Ying Gao、Rong Cao

  DOI：10.1002/ejic.200501077

  日期：2006.4

  Two complexes with double- or triple-stranded chain structures, [Cd(pg)(phen)]·3H2O}n (1) and [Cd3(cpg)3(phen)2]·3H2O}n (2), have been hydrothermally synthesized [H2pg = 3-phenylglutaric acid, H2cpg = 3-(4-chlorophenyl)glutaric acid, phen = 1,10-phenanthroline]. In the crystal lattices of 1 and 2, two 1D polymeric water morphologies are observed (a treelike chain for 1 and a staircaselike tape for

  两种具有双链或三链结构的复合物，[Cd(pg)(phen)]·3H2O}n (1) 和 [Cd3(cpg)3(phen)2]·3H2O}n (2)，已经水热合成 [H2pg = 3-苯基戊二酸，H2cpg = 3-(4-氯苯基)戊二酸，phen = 1,10-菲咯啉]。在 1 和 2 的晶格中，观察到两种一维聚合物水形态（1 的树状链和 2 的阶梯状带），两者都包含 (H2O)6 亚基。水链和带的几何参数分别类似于冰、Ih 和液态水的几何参数。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)