α-methoxy-2-(3,4-methylenedioxyphenyl)acetic acid | 112579-50-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: α-methoxy-2-(3,4-methylenedioxyphenyl)acetic acid
• 英文别名: benzo[1,3]dioxol-5-yl-methoxy-acetic acid；Benzo[1,3]dioxol-5-yl-methoxy-essigsaeure；(RS)-benzo[1,3]dioxol-5-yl-methoxy-acetic acid；α-Methoxy-(3,4-methylendioxy-phenyl)-essigsaeure；2-(1,3-benzodioxol-5-yl)-2-methoxyacetic acid
• CAS: 112579-50-7
• 化学式: C₁₀H₁₀O₅
• 分子量: 210.186
• InChiKey: KWOMTIVNNYNALW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  α-methoxy-2-(3,4-methylenedioxyphenyl)acetic acid 在 硫酸 、 溶剂黄146 、 肼 作用下， 以 乙醇 为溶剂， 生成 2-(1,3-benzodioxol-5-yl)-N-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylideneamino]-2-methoxyacetamide
  参考文献：
  名称：

  Novel 2-methoxyacylhydrazones as potent, selective PDE10A inhibitors with activity in animal models of schizophrenia

  摘要：

  A series of 2-methoxyacylhydrazones were optimized to yield compounds with high affinity for PDE10A. Several compounds demonstrated efficacy in animal models of schizophrenia, including conditioned avoidance response and a pro-psychotic phencyclidine hyperactivity model. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.007
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 甲醇 、 sodium hydroxide 作用下， 生成 α-methoxy-2-(3,4-methylenedioxyphenyl)acetic acid
  参考文献：
  名称：

  Slotta; Haberland, Journal fur praktische Chemie (Leipzig 1954), 1934, vol. <2> 139, p. 211,217

  摘要：

  DOI：

文献信息

• METHYL-BENZIMIDAZOLE DERIVATIVES
  申请人：Benson Gregory Martin

  公开号：US20090131482A1

  公开（公告）日：2009-05-21

  The invention is concerned with novel substituted benzimidazole derivatives of formula (I) wherein R 1 to R 10 are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds can be used as medicaments.

  这项发明涉及一种新型的取代苯并咪唑衍生物，化学式为（I），其中R1到R10如描述和索赔中定义，以及其生理上可接受的盐和酯。这些化合物可用作药物。
• Novel mandelic acid derivatives
  申请人：——

  公开号：US20040122057A1

  公开（公告）日：2004-06-24

  The invention is concerned with novel mandelic acid derivatives of formula (I) 1 wherein R 1 to R 10 , X and Y are as defined in the description and in the claims, as well as pharmaceutically acceptable salts thereof. These compounds inhibit the formation of coagulation factors Xa, IXa and thrombin induced by factor VIIa and tissue factor.

  本发明涉及公式（I）1的新型苯甲酸衍生物，其中R1至R10，X和Y如说明书和权利要求中所定义，并且其药学上可接受的盐。这些化合物抑制由因子VIIa和组织因子诱导的凝血因子Xa，IXa和凝血酶的形成。
• Mandelic acid derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US07129238B2

  公开（公告）日：2006-10-31

  The invention is concerned with novel mandelic acid derivatives of formula (I) wherein R1 to R10, X and Y are as defined in the description and in the claims, as well as pharmaceutically acceptable salts thereof. These compounds inhibit the formation of coagulation factors Xa, IXa and thrombin induced by factor VIIa and tissue factor.

  本发明涉及一种新型的苯乙酸衍生物，其化学式为(I)，其中R1到R10、X和Y的定义如说明书和权利要求中所述，以及其药学上可接受的盐。这些化合物可以抑制因子VIIa和组织因子诱导的凝血因子Xa、IXa和凝血酶的形成。
• Enantiomerically pure α-methoxyaryl acetaldehydes as versatile precursors: a facile chemo-enzymatic methodology for their preparation
  作者：Buddh Singh、Pankaj Gupta、Asha Chaubey、Rajinder Parshad、Shiromani Sharma、Subhash C. Taneja

  DOI：10.1016/j.tetasy.2008.10.023

  日期：2008.11

  A facile and efficient synthesis of optically active alpha-methoxyaryl acetic acids (up to 95% ee), alpha-methoxyaryl ethanols (up to 93% ee) and alpha-methoxyaryl acetonitriles (up to 93% ee) was achieved via Arthrobacter sp. lipase-catalyzed kinetic resolution of masked aldehydes as the key synthons, that is, alpha-hydroxyaryl acetaldehyde acetals. (C) 2008 Elsevier Ltd. All rights reserved.
• MANDELIC ACID DERIVATIVES
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1567498A2

  公开（公告）日：2005-08-31