(+/-)-methyl 3-ethyloctanoate | 2412-83-1

• 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 3-ethyloctanoate
• 英文别名: Methyl 3-ethyloctanoate；methyl 3-ethyloctanoate
• CAS: 2412-83-1
• 化学式: C₁₁H₂₂O₂
• 分子量: 186.294
• InChiKey: UAPUGFNCERSGFS-UHFFFAOYSA-N

物化性质

• 沸点：
  214.2±8.0 °C(Predicted)
• 密度：
  0.870±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  顺-2-辛烯 在 manganese triacetate 作用下， 生成 (+/-)-methyl 3-ethyloctanoate
  参考文献：
  名称：

  Midgley, Gary; Thomas, C. Barry, Journal of the Chemical Society. Perkin transactions II, 1984, # 9, p. 1537 - 1544

  摘要：

  DOI：

文献信息

• 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。
• NOVEL 2' ,5' -OLIGOADENYLIC ACID ANALOGUES
  申请人：Sankyo Company, Limited

  公开号：EP1568704A1

  公开（公告）日：2005-08-31

  A 2-5A analog represented by the formula (1): [wherein m is 0 or 1; n is 0 to 2; R1 represents an alkoxy group having from 1 to 6 carbon atoms which may have a substituent, a 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 have a substituent; R2, R3, R4, R5 and R6 represent a 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 have a substituent, a 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 have a substituent; R7 represents an oxygen atom, or a -O(CH2CH2O)q- group (q is 2 to 6); R8 represents a hydrogen atom, an alkyl group having from 1 to 6 carbon atoms which may have a substituent, or 5'-phosphorylated oligonucleotide analogs which do not have one hydroxyl group on a 5'-phosphoric acid group; E1, E2, E3 and E4 represent a naturally occurring or modified nucleic acid unit], and a pharmacologically acceptable salt thereof.

  由式(1)表示的 2-5A 类似物： [其中 m 为 0 或 1；n 为 0 至 2；R1 代表具有 1 至 6 个碳原子且可能具有取代基的烷氧基、巯基、受核酸合成保护基保护的巯基或具有 1 至 4 个碳原子且可能具有取代基的烷硫基；R2、R3、R4、R5 和 R6 代表羟基、受核酸合成保护基团保护的羟基、具有 1 至 6 个碳原子且可能具有取代基的烷氧基、巯基、受核酸合成保护基团保护的巯基或具有 1 至 4 个碳原子且可能具有取代基的烷硫基；R7代表氧原子，或-O(CH2CH2O)q-基团（q为2至6）；R8代表氢原子、具有1至6个碳原子且可具有取代基的烷基，或在5'-磷酸基上不具有一个羟基的5'-磷酸化寡核苷酸类似物；E1、E2、E3和E4代表天然存在的或修饰的核酸单元]，及其药理学上可接受的盐。
• Copper‐Catalyzed Enantioselective Conjugate Addition of Grignard Reagents to α,β‐Unsaturated Esters
  作者：Fernando López、Syuzanna R. Harutyunyan、Auke Meetsma、Adriaan J. Minnaard、Ben L. Feringa

  DOI：10.1002/anie.200500317

  日期：2005.4.29
• US7651999B2
  申请人：——

  公开号：US7651999B2

  公开（公告）日：2010-01-26