methyl 12-aminododecanoate | 53005-24-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 12-aminododecanoate
• 英文别名: 12-aminododecanoic acid methyl ester
• CAS: 53005-24-6
• 化学式: C₁₃H₂₇NO₂
• 分子量: 229.363
• InChiKey: NDBSIOZEOQUDBF-UHFFFAOYSA-N

物化性质

• 沸点：
  304.8±15.0 °C(Predicted)
• 密度：
  0.916±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 12-aminododecanoate 在 四氮唑 、 叔丁基过氧化氢 、 lithium aluminium tetrahydride 、 potassium tert-butylate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 Phosphoric acid 3-chloro-phenyl ester 2-cyano-ethyl ester 12-(2-{1-[3-(3-methyl-indol-1-yl)-propyl]-1H-indol-3-yl}-acetylamino)-dodecyl ester
  参考文献：
  名称：

  Development of novel telomerase inhibitors based on a Bisindole unit

  摘要：

  Telomerase is the enzyme that elongates telomere repeat at the ends of a chromosome. As high telomerase activity is observed in most cancer cells, inhibitors of human telomerase have been expected as new chemotherapeutic agents for cancer. We describe here the discovery of novel inhibitors with IC50 values in the submicromolar range. The structure of the novel inhibitors will be useful as a scaffold for construction of the library in the search for telomerase inhibitors. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00002-6
• 作为产物：
  描述：

  月桂酸甲酯 在 L-丙氨酸 、 ω-transaminase 、 丁-1,3-二烯1,2-二乙烯基苯苯乙烯 、 还原型辅酶Ⅰ 作用下， 以 aq. phosphate buffer 为溶剂， 生成 methyl 12-aminododecanoate
  参考文献：
  名称：

  通过多步生物催化在一种重组全细胞催化剂中直接末端烷基氨基官能化

  摘要：

  使用一种重组微生物催化剂可以实现非活性炭的直接和区域特异性氨基官能化。提出的概念证明表明，异源途径工程可以构建全细胞生物催化剂，以催化脂肪酸甲酯（例如十二烷酸甲酯）和烷烃（例如辛烷）的末端氨基官能化。通过在体内偶联加氧酶和转氨酶催化，两种底物都以绝对的区域特异性通过两个顺序的氧化反应，然后进行胺化步骤。用单一催化剂完成的如此苛刻的化学三步反应表明，全细胞生物催化剂在生产与工业相关的基础材料方面具有巨大的潜力。

  DOI：

  10.1002/adsc.201200958

文献信息

• Amino acid preparation method comprising a step of hydroformylation of an unsaturated fatty nitrile
  申请人：ARKEMA FRANCE

  公开号：US10125221B2

  公开（公告）日：2018-11-13

  A process for synthesizing an ω-amino acid compound of formula HOOC—(CH2)r+2—CH2NH2, wherein 4≤r≤13 from a monounsaturated fatty nitrile compound of formula CH2═CH—(CH2)r—CN the process comprising: 1) a step of hydroformylation of the mono unsaturated fatty nitrile compound by reacting said nitrile with carbon monoxide and di hydrogen 5e-a5 to obtain a nitrile aldehyde compound of formula HOC—(CH2)r+2-CN, then 2) a step of oxidation, in the presence of dioxygen, of the nitrile aldehyde compound to obtain a corresponding nitrile acid compound of formula HOOC—(CH2)r+2-CN, and 3) a step of reduction of the nitrile acid compound to give an w-amino acid of formula HOOC—(CH2)r+2—CH2NH2.

  一种用于合成ω-氨基酸化合物公式 HOOC—(CH2)r+2— NH2， 其中4≤r≤13，从单不饱和脂肪酸腈化合物公式 ═CH—( )r—CN 该工艺包括：1）单不饱和脂肪酸腈化合物的氢甲酰化步骤，通过将所述腈与一氧化碳和二氢5e-a5反应，以获得腈醛化合物公式HOC—( )r+2-CN，然后2）在 dioxygen 存在的情况下，氧化腈醛化合物以获得相应的腈酸化合物公式HOOC—( )r+2-CN，以及3）将腈酸化合物还原为给出w-氨基酸的公式 HOOC—( )r+2— NH2.
• PROCESS FOR PREPARING SATURATED AMINO ACIDS OR SATURATED AMINO ESTERS COMPRISING A METATHESIS STEP
  申请人：Couturier Jean Luc

  公开号：US20130116458A1

  公开（公告）日：2013-05-09

  The subject matter of the invention is a process for synthesizing a saturated long-chain o.,0)-amino ester (acid) obtained in a first step by cross-metathesis between an acrylic first compound and a monounsaturated second compound comprising at least one nitrile, acid or ester trivalent function, one of these compounds comprising a nitrile function and the other an acid or ester function, in the presence of a ruthenium carbene metathesis catalyst, and in a second step by hydrogenation of the monounsaturated nitrile ester (acid) obtained in the presence of the metathesis catalyst of the preceding stop, acting as a hydrogenation catalyst.

  发明的主题是一种合成饱和长链O.,0）-氨基酯（酸）的过程，该过程首先通过交叉复分解在丙烯酸第一种化合物和至少含有一种腈、酸或酯三价功能的单不饱和第二种化合物之间进行，其中一种化合物含有腈功能，另一种化合物含有酸或酯功能，在钌卡宾复分解催化剂的存在下，然后在第二步中，通过氢化在前一步中获得的单不饱和腈酯（酸），在前一步中的复分解催化剂作为氢化催化剂的作用下。
• PROCESS FOR THE SYNTHESIS OF C11 AND C12 OMEGA-AMINOALKANOIC ACID ESTERS COMPRISING A NITRILATON STEP
  申请人：Couturier Jean-Luc

  公开号：US20140200358A1

  公开（公告）日：2014-07-17

  A process for the synthesis of C11 and C12 ω-amino-alkanoic acid esters including a step of continuous nitrilation in the gas phase or in a mixed gas-liquid phase, a step of metathesis and a step of reduction by hydrogenation, using, as raw material, C10 and C11 ω-alkenoic acid esters.

  一种合成C11和C12 ω-氨基酸酯的方法，包括在气相或混合气液相中进行连续硝化反应的步骤，以及使用C10和C11 ω-烯酸酯作为原料的歧化和还原步骤。
• PROCESS FOR THE DIRECT AMINATION OF ALCOHOLS USING AMMONIA TO FORM PRIMARY AMINES BY MEANS OF A XANTPHOS CATALYST SYSTEM
  申请人：Klasovsky Florian

  公开号：US20130331580A1

  公开（公告）日：2013-12-12

  The present invention relates to a chemocatalytic liquid-phase process for the direct one-stage amination of alcohols to primary amines by means of ammonia in high yields using a catalyst system containing at least one transition metal compound and a xantphos ligand.

  本发明涉及一种化学催化的液相过程，通过使用含有至少一种过渡金属化合物和桑托磷配体的催化剂系统，以高收率将醇直接一步转化为氨为一级胺。
• PROCESS FOR HOMOGENEOUSLY CATALYZED, HIGHLY SELECTIVE DIRECT AMINATION OF PRIMARY ALCOHOLS WITH AMMONIA TO PRIMARY AMINES WITH A HIGH VOLUME RATIO OF LIQUID PHASE TO GAS PHASE AND/OR HIGH PRESSURES
  申请人：Klasovsky Florian

  公开号：US20130245276A1

  公开（公告）日：2013-09-19

  The present invention relates to a process for preparing primary amines comprising the process steps A) provision of a solution of a primary alcohol in a fluid, nongaseous phase, B) contacting of the phase with free ammonia and/or at least one ammonia-releasing compound and a homogeneous catalyst and optionally C) isolation of the primary amine formed in process step B), characterized in that the volume ratio of the volume of the liquid phase to the volume of the gas phase in process step B is greater than 0.05 and/or in that process step B is carried out at pressures greater than 10 bar.

  本发明涉及一种制备初级胺的方法，包括以下步骤 A）在液态非气态相中提供一种初级醇的溶液， B）将该相与游离氨和/或至少一种释放氨的化合物以及均相催化剂接触，可选地 C）分离在步骤B中形成的初级胺， 其特征在于 在步骤B中液相体积与气相体积的体积比大于0.05和/或在步骤B中以大于10巴的压力进行。