2-庚基丙二酸 | 760-54-3

• 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-庚基丙二酸
• 英文名称: 2-n-heptyl malonic acid
• 英文别名: n-Heptyl-malonsaeure；Heptyl-malonsaeure；n-Heptylmalonic acid；2-heptylpropanedioic acid
• CAS: 760-54-3
• 化学式: C₁₀H₁₈O₄
• 分子量: 202.251
• InChiKey: YSFZWUJOBANROZ-UHFFFAOYSA-N

物化性质

• 熔点：
  94-95 °C
• 沸点：
  365.1±25.0 °C(Predicted)
• 密度：
  1.103±0.06 g/cm3(Predicted)
• 物理描述：
  Solid
• 溶解度：
  0.01 M

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2917190090

反应信息

• 作为反应物：
  描述：

  2-庚基丙二酸 生成 10-氧代-十八烷酸
  参考文献：
  名称：

  Toubiana,R. et al., Bulletin de la Societe Chimique de France, 1967, p. 94 - 97

  摘要：

  DOI：
• 作为产物：
  描述：

  2-庚基丙二酸二乙酯 生成 2-庚基丙二酸
  参考文献：
  名称：

  Hydrogenation of Derivatives of Pyridine

  摘要：

  DOI：

  10.1021/ja01326a063

文献信息

• Stereoselective preparation of lipidated carboxymethyl-proline/pipecolic acid derivatives via coupling of engineered crotonases with an alkylmalonyl-CoA synthetase
  作者：Refaat B. Hamed、Luc Henry、J. Ruben Gomez-Castellanos、Amina Asghar、Jürgen Brem、Timothy D. W. Claridge、Christopher J. Schofield

  DOI：10.1039/c3ob41525b

  日期：——

  The trisubstituted enolate- and C–C bond-forming capacities of engineered carboxymethylproline synthases CMPSs are coupled with the malonyl-CoA synthetase MatB to enable stereoselective preparation of 5- and 6-membered N-heterocycles functionalised with alkyl-substituted carboxymethyl side chains, starting from achiral alkyl-substituted malonic acids and L-amino acid semialdehydes. The results illustrate the biocatalytic utility of crotonases in tandem enzyme-catalysed reactions for stereoselective synthesis.

  工程化羧甲基脯氨酸合酶（CMPS）具有三取代烯醇化和C-C键形成能力，与丙二酰-CoA合成酶MatB偶联，可实现从非手性烷基取代的丙二酸和L-氨基酸半醛出发，选择性制备带有烷基取代羧甲基侧链的5-和6-元N-杂环。这些结果展示了利用裂解酶在串联酶催化反应中进行选择性合成生物催化的实用性。
• Aluminum Metal Organic Framework Materials
  申请人：TEXAS A&M UNIVERSITY SYSTEM

  公开号：US20150152123A1

  公开（公告）日：2015-06-04

  The invention relates to monocrystalline single crystals of metal-organic framework materials comprising at least one aluminium metal ion, processes for preparing the same, methods for employing the same, and the use thereof. The invention also relates to monocrystalline aluminium metal-organic frameworks.

  该发明涉及至少含有一种铝金属离子的金属-有机框架材料的单晶单晶体，以及其制备方法、使用方法和用途。该发明还涉及单晶铝金属-有机框架。
• ELECTROLYTE SALT AND ELECTROLYTE FOR ELECTRICITY STORAGE DEVICE, AND ELECTRICITY STORAGE DEVICE
  申请人：NISSHINBO HOLDINGS INC.

  公开号：US20150291633A1

  公开（公告）日：2015-10-15

  Provided is an electrolyte salt comprising a quaternary ammonium cation indicated by formula (1) and a trimethylsilyl alkanesulfonate anion indicated by formula (2). (In the formula, R 1 -R 4 each independently indicate a C1-4 alkyl group or an alkoxyalkyl group indicated by —(CH 2 ) n —OR. Any two among R 1 -R 4 can mutually bond and form a ring together with a nitrogen atom to which same have bonded. The remaining two can mutually bond and form a spiro ring having a nitrogen atom as the spiro atom therefor. R indicates a methyl group or an ethyl group. n indicates 1 or 2 and m indicates 2 or 3.)

  提供的是一种电解质盐，包括由式（1）表示的季铵阳离子和由式（2）表示的三甲基硅烷烷磺酸盐阴离子。（在式中，R1-R4分别表示一个C1-4烷基或一个由—(CH2)n—OR表示的烷氧基烷基。R1-R4中的任意两个可以相互结合，并与它们结合的氮原子一起形成一个环。其余的两个可以相互结合，并形成一个以氮原子为螺旋原子的螺环。R表示一个甲基或一个乙基。n表示1或2，m表示2或3。）
• METHOD FOR PREPARING DICYANOALKANE AND BIS(AMINOMETHYL)ALKANE
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：US20210139408A1

  公开（公告）日：2021-05-13

  A method for preparing a dicyanoalkane may omit a filtration for a catalyst after a cyanation reaction can by carrying out the cyanation reaction in a state in which precipitation of a metal catalyst is suppressed. A method for preparing a dicyanoalkane may involve cyanating one or more aliphatic dicarboxylic acids and/or salt(s) thereof with an ammonia source in the presence of a predetermined compound and a catalyst, wherein, in the cyanation, the amount of the predetermined compound is maintained at a predetermined amount or more with respect to the catalyst.

  制备二氰基烷的方法可以在氰化反应后省略对催化剂的过滤，可以通过在抑制金属催化剂沉淀的状态下进行氰化反应来实现。制备二氰基烷的方法可能涉及使用一种或多种脂肪族二羧酸和/或其盐与氨源在预定化合物和催化剂的存在下进行氰化，其中，在氰化过程中，预定化合物的量相对于催化剂保持在预定量或更多。
• PROCESS FOR PREPARING IONIC LIQUIDS BY ANION EXCHANGE
  申请人：Massonne Klemens

  公开号：US20100217010A1

  公开（公告）日：2010-08-26

  Process for preparing salts of the formula I (B + ) n x A y− where B is a cation comprising at least one nitrogen atom, A is an anion and n is an integer from 1 to 3, x and y are each an integer from 1 to 3 and the product of x and y is equal to n, by reacting salts of the formula II (B + ) n x A y− where B and n, x and y are as defined above and C is a compound which has one or more carboxylate groups (referred to as carboxylate for short) and is different from A, with the ammonium salt of the anion A or with the protic acid of the anion A in the presence of ammonia.

  制备I(B+)nxAy的盐的过程-其中B是至少含有一个氮原子的阳离子，A是阴离子，n是1到3的整数，x和y分别是1到3的整数，且x和y的乘积等于n，通过反应II(B+)nxAy的盐来实现-其中B和n、x和y如上定义，C是一种具有一个或多个羧酸基团（简称为羧酸）且与A不同的化合物，与阴离子A的铵盐或其质子酸在氨的存在下反应。