甲酸癸酯 | 5451-52-5

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 甲酸癸酯
• 中文别名: 甲酸正癸酯
• 英文名称: formic acid,decyl ester
• 英文别名: n-decyl methanoate；1-decyl formate；decyl formate；formic acid decyl ester；Ameisensaeure-decylester
• CAS: 5451-52-5
• 化学式: C₁₁H₂₂O₂
• mdl: MFCD00046143
• 分子量: 186.294
• InChiKey: BCLJZFLDSCTULJ-UHFFFAOYSA-N

物化性质

• 熔点：
  -29.1°C (estimate)
• 沸点：
  220.8°C (estimate)
• 密度：
  0.8726 (estimate)
• 溶解度：
  Very slightly soluble in water, soluble in alcohol and oils.
• LogP：
  4.453 (est)
• 保留指数：
  1310

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  13
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.909
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915120000

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  甲癸醚	1-methoxydecane	7289-52-3	C11H24O	172.311
  癸醇	1-Decanol	112-30-1	C10H22O	158.284

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  癸醇	1-Decanol	112-30-1	C10H22O	158.284

反应信息

• 作为反应物：
  描述：

  甲酸癸酯 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 癸醇
  参考文献：
  名称：

  银盐催化 DMF 与甲酰氧基化反应将卤代烷转化为醇

  摘要：

  已经评估了通过两步法将卤代烷转化为醇，该方法基于与 DMF 的反应，由 Ag(I) 盐催化，然后是中间体甲酸酯的酸或碱水解。结果表明，多种伯和一些仲卤代烷可以有效地转化为相应的醇，使这种卤代烷到醇的相互转化成为现有程序的有价值的替代品，特别是在具有不稳定官能团的分子中，这些分子通常参与多步合成。

  DOI：

  10.1055/s-2005-918453
• 作为产物：
  描述：

  1-氯癸烷 、 potassium formate 在 甲基三辛基氯化铵 水 作用下， 以 邻二氯苯 为溶剂， 反应 48.0h， 生成 甲酸癸酯
  参考文献：
  名称：

  Thin-layer phase-transfer catalysis in the reaction of alkyl chlorides and a solid formate salt

  摘要：

  DOI：

  10.1021/ja00209a030

文献信息

• [EN] TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES<br/>[FR] COMPOSÉS DE TÉTRAZOLINONE ET LEUR UTILISATION EN TANT QUE PESTICIDES
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2013162072A1

  公开（公告）日：2013-10-31

  The present invention provides a compound having an excellent efficacy for controlling pests. A tetrazolinone compound of a formula (1): [wherein R1 represents an C6-C16 aryl group, an C1-C12 alkyl group, or a C3-C12 cycloalkyl group, etc., which each optionally be substituted; R2, R3, R4 and R5 represent independently of each other a hydrogen atom, a halogen atom or an C1-C3 alkyl group, etc.; R6 represents an C1-C6 alkyl group, a C3-C6 cycloalkyl group, a halogen atom, a C1-C6 haloalkyl group, an C2-C6 alkenyl group, an C1-C6 alkoxy group, or a C1-C6 haloalkoxy group, etc.; R7, R8 and R9 represent independently of each other a hydrogen atom, a halogen atom, or an C1-C4 alkyl group, etc.; X represents an oxygen atom or a sulfur atom; and R10 represents an C1-C6 alkyl group, etc.] shows an excellent controlling efficacy on pests.

  本发明提供了一种具有优异杀虫效果的化合物。公式（1）的四唑酮化合物：[其中R1代表C6-C16芳基、C1-C12烷基或C3-C12环烷基等，每个都可以选择性地被取代；R2、R3、R4和R5分别独立地代表氢原子、卤素原子或C1-C3烷基等；R6代表C1-C6烷基、C3-C6环烷基、卤素原子、C1-C6卤代烷基、C2-C6烯基、C1-C6烷氧基或C1-C6卤代烷氧基等；R7、R8和R9分别独立地代表氢原子、卤素原子或C1-C4烷基等；X代表氧原子或硫原子；R10代表C1-C6烷基等]在杀虫方面表现出优异的控制效果。
• Method of producing an o-disubstituted aromatic compound, and method of producing a monosubstituted-monohaloaromatic compound
  申请人：Yoshida Jun-ichi

  公开号：US20080194816A1

  公开（公告）日：2008-08-14

  A method of producing an o-disubstituted aromatic compound, containing: continuously conducting at least the following steps (a) to (d): (a) a step of mono-lithiating one halogen atom of an o-dihaloaromatic compound, using a first microreactor; (b) a step of making the thus-obtained monolithiated product to react with an electrophilic compound, using a second microreactor, to obtain a monosubstituted-monohaloaromatic compound; (c) a step of lithiating the other halogen atom of the o-dihaloaromatic compound, using a third microreactor; and (d) a step of making the thus-obtained lithiated product successively to react with an electrophilic compound, using a forth microreactor.

  生产 o-二取代芳香化合物的方法，包括：连续进行至少以下步骤（a）至（d）： (a) 使用第一微反应器对 o-二卤代芳香化合物的一个卤原子进行单锂化步骤； (b) 使用第二微反应器使得所得的单锂化产物与亲电性化合物发生反应，以获得单取代-单卤代芳香化合物的步骤； (c) 使用第三微反应器对 o-二卤代芳香化合物的另一个卤原子进行锂化步骤；以及 (d) 使用第四微反应器使得所得的锂化产物依次与亲电性化合物发生反应的步骤。
• AROMATIC AMINE COMPOUND, CURING AGENT FOR EPOXY COMPOUND, CURABLE COMPOSITION, CURED PRODUCT, METHOD FOR PRODUCING CURED PRODUCT, AND METHOD FOR PRODUCING AROMATIC AMINE COMPOUND
  申请人：TOKYO OHKA KOGYO CO., LTD.

  公开号：US20210130284A1

  公开（公告）日：2021-05-06

  An aromatic amine compound capable of satisfactorily forming a cured product having exceptional alkali resistance by reaction with an epoxy compound; a curing agent for an epoxy compound, the curing agent including the aromatic amine compound; a curable composition including the curing agent for an epoxy compound; a cured product of the curable composition; a method for producing the cured product; and a method for producing the abovementioned aromatic amine compound. The aromatic amine compound has a structure such that a specific position in a central skeleton comprising a fused ring such as a fluorene ring is substituted with a side-chain group including two aromatic groups linked by a flexible bond such as an amide bond, at least one amino group is bonded to the end of the side-chain group, and the structure has no hydroxyl groups.

  一种芳香胺化合物，通过与环氧化合物反应能够满意地形成具有异常碱性抗性的固化产品；一种环氧化合物的固化剂，该固化剂包括芳香胺化合物；一种包括环氧化合物的固化剂的可固化组合物；可固化组合物的固化产品；生产所述固化产品的方法；以及生产上述芳香胺化合物的方法。该芳香胺化合物具有这样的结构，即中心骨架中的特定位置包括类似于芴环的融合环，该位置被取代为包括通过柔性键（如酰胺键）连接的两个芳香基的侧链基团，至少一个氨基固定在侧链基团的末端，并且该结构不含羟基。
• CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF
  申请人：Fujifilm Corporation

  公开号：US20210155644A1

  公开（公告）日：2021-05-27

  An object of the present invention is to provide a compound exhibiting an excellent drug efficacy as an anti-adenoviral agent, and an anti-adenoviral agent. The present invention provides an anti-adenoviral agent including a compound represented by General Formula [1] (in the formula, R 1 represents a hydrogen atom, a halogen atom, an amino group which may be substituted, a monocyclic nitrogen-containing heterocyclic ring group which may be substituted (provided that a nitrogen atom forming the ring is bonded to a carbon atom to which R 1 is bonded), a monocyclic nitrogen- and oxygen-containing heterocyclic ring group which may be substituted (provided that a nitrogen atom forming the ring is bonded to a carbon atom to which R 1 is bonded), a C 1-6 alkoxy group which may be substituted, a hydroxyl group which may be protected, or the like; R 2 represents a hydrogen atom or an amino protecting group; R 3 represents a C 1-20 alkoxy group which may be substituted, an aryloxy group which may be substituted, an amino group which may be substituted, or the like; R 4 represents a C 1-20 alkoxy group which may be substituted, an aryloxy group which may be substituted, an amino group which may be substituted, or the like; and X represents an oxygen atom or a sulfur atom) or a salt thereof.

  本发明的一个目的是提供一种作为抗腺病毒药剂具有优异药效的化合物，以及一种抗腺病毒药剂。本发明提供了一种包括由通式[1]表示的化合物的抗腺病毒药剂 （在公式中，R 1 表示氢原子、卤素原子、可能被取代的氨基、可能被取代的单环氮含杂环基团（前提是形成环的氮原子与R 1 结合的碳原子相结合）、可能被取代的单环氮和氧含杂环基团（前提是形成环的氮原子与R 1 结合的碳原子相结合）、可能被取代的C 1-6 烷氧基、可能被保护的羟基等；R 2 表示氢原子或氨基保护基团；R 3 表示可能被取代的C 1-20 烷氧基、可能被取代的芳氧基、可能被取代的氨基等；R 4 表示可能被取代的C 1-20 烷氧基、可能被取代的芳氧基、可能被取代的氨基等；X表示氧原子或硫原子）或其盐。
• HISTONE DEACETYLASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF
  申请人：GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD

  公开号：US20180098990A1

  公开（公告）日：2018-04-12

  A compound represented by Formula I or pharmaceutically acceptable salt thereof. The present invention relates to a 4-arylamino quinazoline hydroxamic acid compound having a histone deacetylase inhibitory activity, preparation method of the compound, pharmaceutical composition comprising the compound, and use of the compound and the pharmaceutical composition in the preparation of a histone deacetylase inhibitor medicine. The present invention aims at acquiring, via a medicine design and a synthetic technology, a series of selective histone deacetylase inhibitors having good hypotype selectivity and favorable pharmacokinetic characteristics based on optimization of an enzyme surface recognition region and connection region of 4-arylamino quinazoline, thus reducing an effect on normal tissues or cells while improving an antineoplastic activity of the normal tissues or cells.

  本发明涉及一种具有组蛋白去乙酰化酶抑制活性的4-芳氨基喹唑啉羟胺酸化合物、其制备方法、包含该化合物的药物组合物，以及该化合物和药物组合物在制备组蛋白去乙酰化酶抑制剂药物中的用途。本发明的目的是通过药物设计和合成技术，基于优化4-芳氨基喹唑啉的酶表面识别区域和连接区域，获得一系列具有良好低类型选择性和有利药代动力学特性的选择性组蛋白去乙酰化酶抑制剂，从而在提高正常组织或细胞的抗肿瘤活性的同时，减少对正常组织或细胞的影响。