m-pentylbenzaldehyde | 89667-05-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: m-pentylbenzaldehyde
• 英文别名: Benzaldehyde, 3-pentyl-；3-pentylbenzaldehyde
• CAS: 89667-05-0
• 化学式: C₁₂H₁₆O
• 分子量: 176.258
• InChiKey: MMXWSGFLBUSQPQ-UHFFFAOYSA-N

物化性质

• 沸点：
  269.3±19.0 °C(Predicted)
• 密度：
  0.960±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  L-半胱氨酸盐酸盐无水物 、 m-pentylbenzaldehyde 以 乙醇 为溶剂， 反应 12.0h， 以40%的产率得到(R)-2-(3-Pentyl-phenyl)-thiazolidine-4-carboxylic acid
  参考文献：
  名称：

  Development of Novel EDG3 Antagonists Using a 3D Database Search and Their Structure−Activity Relationships

  摘要：

  Sphingosine-1-phosphate (SIP) is an intracellular second messenger and an extracellular mediator through endothelial differentiation gene (EDG) receptors, which are a novel class of G-protein-coupled receptors. Although EDG has attracted much attention because of its various roles, no selective agonists or antagonists have yet been developed. This could account for the delay in clarifying the physiological roles of members of the EDG family. Because precise structural information on EDG receptors is not yet available, pharmacophore models were generated based on structural information for SIP using the rational drug design software Catalyst. Novel antagonists, 2-alkylthiazolidine-4-carboxylic acids, were retrieved from a three-dimensional database search using the pharmacophore models, and these showed activity for EDG3. On the basis of their nonphosphoric acid structure, more potent antagonists, 2-(m- or p-heptylphenyl)thiazolidine-4-carboxylic acid, were developed.

  DOI：

  10.1021/jm020080c
• 作为产物：
  描述：

  (3-pentylphenyl)methanol 在 manganese oxide 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以886 mg的产率得到m-pentylbenzaldehyde
  参考文献：
  名称：

  Development of Novel EDG3 Antagonists Using a 3D Database Search and Their Structure−Activity Relationships

  摘要：

  Sphingosine-1-phosphate (SIP) is an intracellular second messenger and an extracellular mediator through endothelial differentiation gene (EDG) receptors, which are a novel class of G-protein-coupled receptors. Although EDG has attracted much attention because of its various roles, no selective agonists or antagonists have yet been developed. This could account for the delay in clarifying the physiological roles of members of the EDG family. Because precise structural information on EDG receptors is not yet available, pharmacophore models were generated based on structural information for SIP using the rational drug design software Catalyst. Novel antagonists, 2-alkylthiazolidine-4-carboxylic acids, were retrieved from a three-dimensional database search using the pharmacophore models, and these showed activity for EDG3. On the basis of their nonphosphoric acid structure, more potent antagonists, 2-(m- or p-heptylphenyl)thiazolidine-4-carboxylic acid, were developed.

  DOI：

  10.1021/jm020080c

文献信息

• METHOD FOR PROMOTING PLANT GROWTH
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150282482A1

  公开（公告）日：2015-10-08

  The present invention provides a method for promoting plant growth, which comprises treating a plant with a compound represented by the following Formula (1): provided that a method for promoting plant growth which comprises treating plants with a compound corresponding to any one of the following (1) to (8) is excluded: (1) Methyl 4-(trifluoromethyl)benzo[b]thiophene-2-carboxylate, (2) Methyl 5-(trifluoromethyl)benzo[b]thiophene-2-carboxylate, (3) Methyl 6-(trifluoromethyl)benzo[b]thiophene-2-carboxylate, (4) Methyl 7-(trifluoromethyl)benzo[b]thiophene-2-carboxylate, (5) Ethyl 4-(trifluoromethyl)benzo[b]thiophene-2-carboxylate, (6) Ethyl 5-(trifluoromethyl)benzo[b]thiophene-2-carboxylate, (7) Ethyl 6-(trifluoromethyl)benzo[b]thiophene-2-carboxylate, and (8) Ethyl 7-(trifluoromethyl)benzo[b]thiophene-2-carboxylate.

  本发明提供了一种促进植物生长的方法，包括用下式表示的化合物处理植物： 只要排除用与以下任一化合物相对应的化合物处理植物的促进植物生长方法：(1) 甲基4-(三氟甲基)苯并[b]噻吩-2-羧酸酯，(2) 甲基5-(三氟甲基)苯并[b]噻吩-2-羧酸酯，(3) 甲基6-(三氟甲基)苯并[b]噻吩-2-羧酸酯，(4) 甲基7-(三氟甲基)苯并[b]噻吩-2-羧酸酯，(5) 乙基4-(三氟甲基)苯并[b]噻吩-2-羧酸酯，(6) 乙基5-(三氟甲基)苯并[b]噻吩-2-羧酸酯，(7) 乙基6-(三氟甲基)苯并[b]噻吩-2-羧酸酯，以及(8) 乙基7-(三氟甲基)苯并[b]噻吩-2-羧酸酯。
• 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME
  申请人：Shibata Norio

  公开号：US20110319637A1

  公开（公告）日：2011-12-29

  A 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative as a monofluoromethyl group introduction agent that is effective as an intermediate in pharmaceutical and agrochemical synthesis, a production method thereof, and a production method of a monofluoromethyl group-containing compound using this 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative are provided. The 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative represented by the following general formula (1) (wherein R 1 , R 2 , R 3 , and R 4 each independently represent a hydrogen atom, a straight-chain or branched alkyl group having 1 to 4 carbon atoms, a straight-chain or branched alkyloxy group having 1 to 4 carbon atoms, a halogen atom, a nitro group, or a cyano group), the production method thereof, and various monofluoromethyl group-containing compounds are manufactured using this 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative as a monofluoromethylating agent.

  一种2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物作为单氟甲基基团引入剂，可作为制药和农药合成中间体，提供其生产方法，以及使用该2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物制备含单氟甲基基团的化合物的生产方法。所述2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物由下述通用式（1）表示（其中R1、R2、R3和R4各自独立地表示氢原子、具有1至4个碳原子的直链或支链烷基基团、具有1至4个碳原子的直链或支链烷氧基基团、卤素原子、硝基团或氰基团），提供其生产方法，并使用该2-氟-1,3-苯二硫醚-1,1,3,3-四氧化物衍生物作为单氟甲基化剂制造各种含单氟甲基基团的化合物。
• ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME
  申请人：NOF CORPORATION

  公开号：EP1233014A1

  公开（公告）日：2002-08-21

  A crosslinking agent comprising an asymmetry organic peroxide having at least one structure unit of (substituted)benzoylcarbonyloxy group represented by the following formula (1) in the molecule thereof. Environmentally friendly crosslinking agents and crosslinked silicone rubber moldings are provided thereby. Specifically, useful crosslinking agents and crosslinking processes for silicone rubber are provided.

  一种交联剂，包括至少具有分子中表示为以下式（1）的（取代）苯甲酰羰氧基结构单元的不对称有机过氧化物。因此提供了环保的交联剂和交联硅橡胶成型品。具体提供了用于硅橡胶的有用交联剂和交联工艺。
• PYRROLOPYRAZOLE DERIVATIVE
  申请人：DAIICHI SANKYO COMPANY, LIMITED

  公开号：US20220185815A1

  公开（公告）日：2022-06-16

  The present invention provides a low molecular compound that inhibits phosphatidylserine synthase 1 or a pharmaceutically acceptable salt thereof, a pharmaceutical containing thereof, and a therapeutic agent for cancer having a suppressed function of phosphatidylserine synthase 2. The compound represented by formula (1) or a pharmaceutically acceptable salt thereof, wherein R 1 , ring Q 1 , ring Q 2 , and W are as defined in the specification.

  本发明提供了一种低分子化合物，其抑制磷脂酰丝氨酸合酶1或其药学上可接受的盐，以及含有该化合物的制药组合物，并提供了一种抑制磷脂酰丝氨酸合酶2功能的治疗癌症的治疗剂。该化合物由式（1）或其药学上可接受的盐表示，其中R1，环Q1，环Q2和W的定义如规范中所述。
• CHALCONE DERIVATIVE COMPOUNDS
  申请人：NIPPON OIL AND FATS COMPANY, LIMITED

  公开号：EP0328669A1

  公开（公告）日：1989-08-23

  Chalcone derivative compounds represented by general formula (I) or (II), wherein R₁ and R₂ each represents a ha­logen atom, a hydroxy group, an amino group, a dimethylamino group, a nitro group, a cyano group, a phenyl group, an acetyl group, an alkyl group containing 1 to 18 carbon atoms or an alkyloxy group containing 1 to 22 carbon atoms, n₁ and n₂ each represents an integer of 0 to 21, and m₁ and m₂ each represents an integer of 0 to 5.

  通式(I)或(II)代表的查耳酮衍生物化合物，其中 R₁ 和 R₂ 各自代表卤素原子、羟基、氨基、二甲基氨基、硝基、氰基、苯基、乙酰基、含 1 至 18 个碳原子的烷基或含 1 至 22 个碳原子的烷氧基，n₁ 和 n₂ 各自代表整数、乙酰基、含 1 至 18 个碳原子的烷基或含 1 至 22 个碳原子的烷氧基，n₁ 和 n₂ 各自代表 0 至 21 的整数，m₁ 和 m₂ 各自代表 0 至 5 的整数。