2-甲基戊酸正丙酯 | 6639-14-1

• 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: 2-甲基戊酸正丙酯
• 中文别名: 2-甲基戊酸丙酯
• 英文名称: Propyl 2-methylvalerate
• 英文别名: propyl 2-methylpentanoate
• CAS: 6639-14-1
• 化学式: C₉H₁₈O₂
• 分子量: 158.24
• InChiKey: AJYNZTLCODJWQR-UHFFFAOYSA-N

物化性质

• 沸点：
  176.5±8.0 °C(Predicted)
• 密度：
  0.874±0.06 g/cm3(Predicted)
• 闪点：
  51°(124°F)
• 保留指数：
  1009

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  3
• 海关编码：
  2915900090
• 包装等级：
  III

反应信息

• 作为产物：
  描述：

  propan-2-yloxycarbonyl 2-methylpentanoate 、 丙醇 生成 2-甲基戊酸正丙酯
  参考文献：
  名称：

  Guibe-Jampel Eryka, Bassir Mohamed, Tetrahedron Lett, 35 (1994) N 3, S 421-422

  摘要：

  DOI：

文献信息

• Catechol protected levodopa diester prodrugs, compositions, and methods of use
  申请人：Xiang Jia-Ning

  公开号：US20080171789A1

  公开（公告）日：2008-07-17

  Catechol protected levodopa diester prodrugs pharmaceutical, compositions comprising catechol protected levodopa diester prodrugs, and methods of using such prodrugs and pharmaceutical compositions for treating diseases such as Parkinson's disease are provided.

  提供了一种保护左旋多巴二酯前药的制药品，包括含有保护左旋多巴二酯前药的制剂，以及利用这种前药和制药组合物治疗帕金森病等疾病的方法。
• METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE
  申请人：API Corporation

  公开号：US20160083341A1

  公开（公告）日：2016-03-24

  According to the present invention, it becomes possible to perform a process for converting into an α-substituted cysteine represented by general formula (1) or a salt thereof at low cost and on an industrial scale by employing a process that is routed through a compound represented by general formula (3) to a compound represented by general formula (6). Particularly, by employing a process that is routed through a compound represented by general formula (7-2), it becomes possible to detach a tert-butyl protection group in a simple manner and to produce the compound represented by general formula (1) with high purity. Furthermore, by employing a process that is routed through tert-butylthiomethanol or a process that is routed through a compound represented by general formula (9), it becomes possible to produce a compound represented by general formula (2) without generating bischloromethylether that is an oncogenic substance. In the production of an α-substituted-D-cysteine or a salt thereof, it becomes possible to perform a process for converting the compound represented by general formula (2) into a compound represented by general formula (3S) in one step by allowing an enzyme or the like to act on the compound represented by general formula (2).

  根据本发明，通过采用经由一种化合物（通式（3）表示）到一种通式（6）表示的化合物的过程，可以以低成本和工业化规模进行将其转化为通式（1）表示的α-取代半胱氨酸或其盐的过程。特别是，通过采用经由一种通式（7-2）表示的化合物的过程，可以简单地去除叔丁基保护基，并以高纯度生产通式（1）表示的化合物。此外，通过采用经由叔丁基硫代甲醇或经由一种通式（9）表示的化合物的过程，可以生产通式（2）表示的化合物，而不产生致癌物质双氯甲醚。在生产α-取代-D-半胱氨酸或其盐时，可以通过允许酶或类似物作用于通式（2）表示的化合物，一步将其转化为通式（3S）表示的化合物。
• LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR
  申请人：NEW JAPAN CHEMICAL CO.,LTD.

  公开号：EP1225213A1

  公开（公告）日：2002-07-24

  The invention provides a lubricating oil for refrigerators, comprising (a) at least one ester represented by the formula (1) wherein R1 is C1 to C18 straight-chain alkyl or C3 to C18 branched-chain alkyl; R2 is H, C1 to C18 straight-chain alkyl or C3 to C18 branched-chain alkyl; with the poviso that the total number of carbons contained in the alkyls represented by R1 and R2 is 2 to 18 and that when R2 is H, R1 is branched-chain alkyl; and R3 is C1 to C20 straight-chain alkyl, C3 to C20 branched-chain alkyl or C3 to C10 cycloalkyl, optionally in combination with (b) at least one member selected from the group consisting of fatty acid polyol esters, phthalic acid esters, alicyclic dicarboxylic acid esters, polyvinyl ethers, hydrocarbon oils and polyalkylene glycols; as well as a method for lubricating a refrigerator using such a lubricating oil, and a working fluid composition for refrigerators comprising (I) component (a) or components (a) and (b) and (II) a refrigerant.

  本发明提供了一种用于冰箱的润滑油，包括 (a) 至少一种由式 (1) 代表的酯类 其中 R1 是 C1 至 C18 直链烷基或 C3 至 C18 支链烷基；R2 是 H、C1 至 C18 直链烷基或 C3 至 C18 支链烷基；前提是 R1 和 R2 所代表的烷基所含的碳总数为 2 至 18，且当 R2 为 H 时，R1 为支链烷基；和 R3 是 C1 至 C20 直链烷基、C3 至 C20 支链烷基或 C3 至 C10 环烷基，可选择与 (b) 至少一种选自脂肪酸多元醇酯、邻苯二甲酸酯、脂环二羧酸酯、聚乙烯醚、烃油和聚烷基二 醇组成的组的成员结合使用；以及一种使用这种润滑油润滑冰箱的方法，和一种用于冰箱的工作液组合物，该组合物包括 (I) 成分 (a) 或成分 (a) 和 (b) 以及 (II) 制冷剂。
• Therapeutic Use of Compounds
  申请人：UCL Business PLC

  公开号：EP2737901A1

  公开（公告）日：2014-06-04

  A compound having the formula         R1 - COOH     (I) wherein R1 is an alkyl or alkenyl group having a C7-11 backbone, optionally branched with a C1-6 alkyl group at any C position in the backbone, or a pharmaceutically acceptable salt, amide or ester thereof, wherein the backbone of the alkyl or alkenyl group, and/or the branched alkyl groups, are optionally interrupted by one or more heteroatoms, provided that when R1 is an alkyl group having a C7 backbone, the branching does not consist only of a hexyl group at the α carbon of R1, or only of a methyl group at the γ carbon of R1, or of only single methyl groups at both the β and ω-1 carbons of R1, and provided that when R1 is an alkyl group having a C8 or C11 backbone, the branching does not consist only of a propyl group at the α carbon of R1, for use in the treatment or prevention of a disease or a biomedical condition selected from seizure-related disorders, bipolar disorders, mania, depression, migraine, attention deficit hyperactivity disorders, latent HIV infection, Alzheimer's disease, chorea, schizophrenia, ischemia, cancer and fatal blood loss.

  一种化合物，其化学式为 R1 - COOH (I) 其中 R1 是具有 C7-11 主干的烷基或烯基，可选择在主干的任意 C 位上用 C1-6 烷基支化，或其药学上可接受的盐、酰胺或酯，其中烷基或烯基的主干、和/或支化烷基可选择被一个或多个杂原子打断，条件是当 R1 是具有 C7 主干的烷基时，支化不只包括 R1 α 碳上的一个己基，或 R1 γ 碳上的一个甲基、或仅在 R1 的 β 和 ω-1 碳处有单个甲基，且当 R1 是具有 C8 或 C11 主干的烷基时，支化并非仅由 R1 的 α 碳处的丙基组成、用于治疗或预防选自癫痫发作相关疾病、双相情感障碍、躁狂症、抑郁症、偏头痛、注意缺陷多动障碍、潜伏 HIV 感染、阿尔茨海默病、舞蹈症、精神分裂症、缺血、癌症和致命性失血的疾病或生物医学状况。
• Therapeutic use of compounds
  申请人：Williams Robin Simon Brooke

  公开号：US10548866B2

  公开（公告）日：2020-02-04

  A compound having the formula (I) R1-COOH wherein R1 is an alkyl or alkenyl group having a C7-11 backbone, optionally branched with a C1-6 alkyl group at any C position in the backbone, or a pharmaceutically acceptable salt, amide or ester thereof, wherein the backbone of the alkyl or alkenyl group, and/or the branched alkyl groups, are optionally interrupted by one or more heteroatoms, provided that when R1 is an alkyl group having a C7 backbone, the branching does not consist only of a hexyl group at the a carbon of R1, or only of a methyl group at the γ carbon of R1, or of only single methyl groups at both the β and ω−1 carbons of R1, and provided that when R1 is an alkyl group having a C8 or C11 backbone, the branching does not consist only of a propyl group at the a carbon of R1, for use in the treatment or prevention of a disease or a biomedical condition selected from seizure-related disorders, bipolar disorders, mania, depression, migraine, attention deficit hyperactivity disorders, latent HIV infection, Alzheimer's disease, chorea, schizophrenia, ischemia, cancer and fatal blood loss.

  一种具有式(I)R1-COOH的化合物，其中R1是具有C7-11骨架的烷基或烯基，可选地在骨架的任一C位上用C1-6烷基支化，或其药学上可接受的盐、酰胺或酯，其中烷基或烯基的骨架、和/或支化烷基可选择被一个或多个杂原子打断，条件是当 R1 是具有 C7 主干的烷基时，支化不只包括 R1 的一个碳上的一个己基，或 R1 的 γ 碳上的一个甲基、或 R1 的 β 碳和ω-1 碳上只有单个甲基，且当 R1 是具有 C8 或 C11 主干的烷基时，支化不只包括 R1 的 a 碳上的丙基、用于治疗或预防选自癫痫发作相关疾病、双相情感障碍、躁狂症、抑郁症、偏头痛、注意缺陷多动障碍、潜伏艾滋病病毒感染、老年痴呆症、舞蹈症、精神分裂症、缺血、癌症和致命性失血的疾病或生物医学状况。

表征谱图