2-bromoethyl decanoate | 52001-54-4

• 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: 2-bromoethyl decanoate
• CAS: 52001-54-4
• 化学式: C₁₂H₂₃BrO₂
• 分子量: 279.217
• InChiKey: FORDMBWONWFLHF-UHFFFAOYSA-N

物化性质

• 沸点：
  314.5±15.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  15
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-bromoethyl decanoate 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 6.0h， 生成 2-butyloctyl 6-(2-(decanoyloxy)ethyl)-3-ethyl-12-hexyl-10-oxo-9,11-dioxa-3,6-diazahexadecan-16-oate
  参考文献：
  名称：

  [EN] COMPOUND SERVING AS PRODUCTION INTERMEDIATE OF AMINO LIPID OR SALT THEREOF, AND METHOD FOR PRODUCING AMINO LIPID COMPOUND USING SAME
  [FR] COMPOSÉ SERVANT D'INTERMÉDIAIRE DE PRODUCTION D'UN LIPIDE AMINÉ OU D'UN SEL DE CELUI-CI, ET PROCÉDÉ DE PRODUCTION D'UN COMPOSÉ AMINO-LIPIDE L'UTILISANT
  [JA] アミノ脂質又はその塩の製造中間体としての化合物、及びそれを用いたアミノ脂質化合物の製造方法

  摘要：

  本発明は、炭酸エステル化反応における収率を向上させたアミノ脂質化合物の製造方法、並びに上記のアミノ脂質化合物の製造方法において使用する中間体化合物を提供することを課題とする。本発明によれば、式［１］で示される化合物又はその塩が提供される。式中、 Ｒ１は、水素原子、又は炭素数１～１２の炭化水素基を示し、 Ｒ２は、炭素数２～１２の２価の炭化水素基を示し、 Ｒ３は、炭素数６～２２の炭化水素基を示す。

  公开号：

  WO2024014430A1
• 作为产物：
  描述：

  2-壬基-1,3-二氧环戊烷 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 生成 2-bromoethyl decanoate
  参考文献：
  名称：

  Preparation of carboxylic acids from protected aldehydes

  摘要：

  DOI：

  10.1021/jo00411a044

文献信息

• Synthesis, IR spectra, and antimicrobial activity of some bis-ammonium salts of N,N'-bis(2-dimethylaminoethyl)methylamine
  作者：Ferdinand Devínský、Ľubomíra Masárová、Ivan Lacko、Dušan Mlynarčík

  DOI：10.1135/cccc19842819

  日期：——

  Preparation of 2-bromoethyl alkanoates and alkenoates, N,N'-bis(2-dimethylaminoethyl)methylamine (pentamethyldiethylenetriamine) and some of its bis-ammonium salts is described. IR spectra of the esters and ammonium salts have been interpreted. Antimicrobial activity against Staphylococcus aureus, Escherichia coli and Candida albicans for the bis-ammonium salts has been determined.

  制备了2-溴乙基酸烷酯和烯酸烷酯，N,N'-双(2-二甲基氨基乙基)甲胺（五甲基二乙烯三胺）及其部分双铵盐的描述。已解释了酯和铵盐的红外光谱。已确定了双铵盐对金黄色葡萄球菌、大肠杆菌和白色念珠菌的抗菌活性。
• Synthesis, thermal stability and surface activity of imidazolium monomeric surfactants
  作者：Vinit Sharma、Chetna Bhatia、Manpreet Singh、Chitra Singh、S.K. Upadhyaya、Kamal Kishore

  DOI：10.1016/j.molliq.2020.113006

  日期：2020.6

  cationic monomeric surfactants have been prepared and characterized by FTIR, 1HNMR and TGA. The conductometric study of 3-(2-(decanoyloxy)ethyl)-1-methyl-1H-imidazol-3-ium-bromide (capric surfactant) and 3-(2-(octadecanoyloxy)ethyl)-1-methyl-1H-imidazol-3-ium-bromide (stearic surfactant) with different concentrations at 298 K, 303 K, 308 K and 313 K in ethanol; indicates that these surfactants behave as weak

  制备了可再生原料基咪唑鎓阳离子单体表面活性剂，并用FTIR，1表征HNMR和TGA。3-（2-（癸酰氧基）乙基）-1-甲基-1H-咪唑-3-溴化铵（癸酸表面活性剂）和3-（2-（十八烷酰氧基）乙基）-1-甲基-1H-的电导研究乙醇中在298 K，303 K，308 K和313 K时具有不同浓度的咪唑3溴化铵（硬脂表面活性剂）; 表明这些表面活性剂表现为弱电解质。由电导率测量值计算出的热力学参数表明，胶束化作用优于解离过程。密度和粘度测量的结果已通过众所周知的方程式及其相关参数得到了令人满意的解释。已经在水和乙醇中在298 K下测量了癸酸和硬脂酸表面活性剂的表面活性。吉布 吸附等温线证实表面张力相对于浓度自然对数的导数为负，表明吸附本质上为正，即通过添加表面活性剂分子降低了溶液的表面张力。热重分析（TGA）表明，这些表面活性剂在高达370°C的温度下具有热稳定性。发现用于热分解的活化能在14
• 2' ,5' -Oligoadenylate analogs
  申请人：Koizumi Makoto

  公开号：US20050261235A1

  公开（公告）日：2005-11-24

  A 2-5A analog represented by the formula (1): wherein m is 0 or 1; n is 0 to 2; R 1 represents an alkoxy group having from 1 to 6 carbon atoms which may be substituted, an unprotected mercapto group, a mercapto group protected by a nucleic acid synthesis protecting group, or an alkylthio group having from 1 to 4 carbon atoms which may be substituted; R 2 , R 3 , R 4 , R 5 and R 6 represent an unprotected hydroxyl group, a hydroxyl group protected by a nucleic acid synthesis protecting group, an alkoxy group having from 1 to 6 carbon atoms which may be substituted, an unprotected mercapto group, a mercapto group protected by a nucleic acid synthesis protecting group, or an alkylthio group having from 1 to 4 carbon atoms which may be substituted; R 7 represents an oxygen atom, or a —O(CH 2 CH 2 O)q-group, wherein q is 2 to 6; R 8 represents a hydrogen atom, an alkyl group having from 1 to 6 carbon atoms which may be substituted, or a 5′-phosphorylated oligonucleotide analog which has one hydroxyl group removed from the 5′-phosphoric acid group; E 1 , E 2 , E 3 and E 4 represent a naturally occurring or modified nucleic acid unit, or a pharmacologically acceptable salt thereof.

  一种由公式（1）表示的2-5A模拟物，其中m为0或1；n为0至2；R1表示具有1至6个碳原子的烷氧基，可以被取代，未保护的巯基，通过核酸合成保护基保护的巯基，或者具有1至4个碳原子的烷硫基，可以被取代；R2、R3、R4、R5和R6表示未保护的羟基，通过核酸合成保护基保护的羟基，具有1至6个碳原子的烷氧基，可以被取代，未保护的巯基，通过核酸合成保护基保护的巯基，或者具有1至4个碳原子的烷硫基，可以被取代；R7表示氧原子，或者-O(CH2CH2O)q-基团，其中q为2至6；R8表示氢原子，具有1至6个碳原子的烷基，可以被取代，或者从5'-磷酸基团中去除一个羟基的5'-磷酸寡核苷酸类似物；E1、E2、E3和E4表示天然或修饰的核酸单元，或其药理学上可接受的盐。
• Method of treating a tumor or a viral disease by administering a 2' , 5' -oligoadenylate analog
  申请人：Koizumi Makoto

  公开号：US20100035976A1

  公开（公告）日：2010-02-11

  A method of treating a tumor or a viral disease by administering to a human the following 2′,5′-oligoadenylate analog: Wherein m is 0; n is 0 or 1; R 1 is alkoxy substituted by hydroxyl, mercapto, alkylthio substituted by hydroxyl or X 1 —X 2 —X 3 —S—; R 2 , R 3 , R 4 , R 5 and R 6 are hydroxyl, mercapto, alkylthio substituted by hydroxyl or X 1 —X 2 —X 3 —S—; R 7 is oxygen, sulfur, —NH—, or —O(CH 2 CH 2 O)q-, wherein q is 2 to 6, or oxyalkyleneoxy; R 8 is hydrogen or a 5′-phosphorylated oligonucleotide which has one hydroxyl removed from the 5′-phosphoric acid; E 1 is K 2 ; E 2 is K 1 ; E 3 is K 2 or K 3 and E 4 is K 1 , K 2 or K 3 ; K 1 is K 2 is K 3 is B is adeninyl; A is alkylene; D is alkyl or alkenyl; X 1 is alkyl or phenyl; X 2 is —C(═O)O—, —OC(═O)— or —C(═O)S—; and X 3 is alkylene.

  一种通过向人体内注射以下2′，5′-寡腺苷酸类似物来治疗肿瘤或病毒性疾病的方法：其中m为0；n为0或1；R1为烷氧基，被羟基，巯基，被羟基的烷基硫代基或X1—X2—X3—S—取代的烷氧基；R2，R3，R4，R5和R6为羟基，巯基，被羟基的烷基硫代基或X1—X2—X3—S—；R7为氧，硫，—NH—，或—O(CH2CH2O)q-，其中q为2至6，或氧烷氧基；R8为氢或一个5′-磷酸寡核苷酸，其5′-磷酸上有一个羟基被去除；E1为K2；E2为K1；E3为K2或K3，E4为K1，K2或K3；K1，K2和K3为B为腺苷基；A为烷基；D为烷基或烯基；X1为烷基或苯基；X2为—C(═O)O—，—OC(═O)—或—C(═O)S—；X3为烷基。
• LIPID COMPOSITION
  申请人：FUJIFILM Corporation

  公开号：US20220273817A1

  公开（公告）日：2022-09-01

  An object of the present invention is to provide a lipid composition capable of achieving excellent nucleic acid delivery for a wide variety of nucleic acids. According to the present invention, there is provided a lipid composition containing a first lipid which is a lipid represented by Formula (1) or a salt thereof, sterols, and nucleic acid, in which a ratio of the number of moles of the first lipid in the lipid composition to the number of moles of sterols in the lipid composition is 0.300 or more and less than 1.299. In the formula, X represents —NR 1 — or —O—, R 1 represents a hydrogen atom, a hydrocarbon group, or the like, R 2 and R 3 each independently represent a hydrogen atom, a hydrocarbon group, or the like, R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , and R 12 each independently represent a hydrogen atom or an alkyl group, groups in any one or more pairs among R 4 and R 5 , R 10 and R 5 , R 5 and R 12 , R 4 and R 6 , R 5 and R 6 , R 6 and R 7 , R 6 and R 10 , R 12 and R 7 , and R 7 and R 8 may be linked to each other to form a 4- to 7-membered ring which may contain an O atom, a, b, c, and d are each independently represent an integer of 0 to 3, a+b is 1 or more, and c+d is 1 or more.

  本发明的目的是提供一种脂质组合物，能够实现对各种核酸的优异递送。根据本发明，提供了一种脂质组合物，其中包含第一脂质，该脂质是由式（1）或其盐所代表的脂质，固醇和核酸，其中第一脂质的摩尔数与固醇的摩尔数之比为0.300或更多，但小于1.299。在公式中，X代表—NR1—或—O—，R1代表氢原子、烃基或类似物，R2和R3各自独立地代表氢原子、烃基或类似物，R4、R5、R6、R7、R8、R9、R10、R11和R12各自独立地代表氢原子或烷基，在R4和R5、R10和R5、R5和R12、R4和R6、R5和R6、R6和R7、R6和R10、R12和R7以及R7和R8中的任意一对中，可以将其相互连接以形成4至7个成员的环，该环中可以含有一个O原子，a、b、c和d各自独立地代表0至3的整数，a+b为1或更多，c+d为1或更多。