methyl 3-methylnonanoate | 2177-87-9

• 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-methylnonanoate
• 英文别名: 3-methyl-nonanoic acid methyl ester；3-Methyl-nonansaeure-methylester；3-Methylnonansaeuremethylester；Methyl-3-methylnonanoat
• CAS: 2177-87-9
• 化学式: C₁₁H₂₂O₂
• 分子量: 186.294
• InChiKey: XANGOCPHPGWYJI-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-methylnonanoate
  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

• Phosphonamide stabilized allylic carbanions. New homoenolate anion equivalents
  作者：David A. Evans、James M. Takacs、Kenneth M. Hurst

  DOI：10.1021/ja00496a016

  日期：1979.1

  The chemistry of phosphonamide stabilized allylic carbanions derived from the 1,2-addition of tervalent phosphorus siloxanes with a,b-unsaturated aldehydes has been studied. An in situ synthesis of allylic cu-silyloxyphosphonamides, followed by metalation and regioselective y-alkylation of the allylic carbanion, yields a versatile "active ester". Transesterification under mild conditions gives esters

  研究了由三价磷硅氧烷与 a,b-不饱和醛的 1,2-加成得到的磷酰胺稳定的烯丙基碳负离子的化学性质。烯丙基铜-甲硅烷氧基膦酰胺的原位合成，然后是烯丙基碳负离子的金属化和区域选择性 y-烷基化，产生多功能的“活性酯”。温和条件下的酯交换产生酯和内酯，并定义了新的均烯醇等价物。
• The photochemistry of acetylenic ethers. A novel carbon-oxygen to carbon-carbon bond conversion
  作者：Bradley A. Smith、Andrew J. Callinan、John S. Swenton

  DOI：10.1016/0040-4039(94)85199-9

  日期：1994.4

  Irradiation of acetylenic ethers in methanol gives homologated esters via a formal [1,3]-oxygen-to-carbon migration involving a ketene intermediate.

  乙炔醚在甲醇中的辐射通过涉及乙烯酮中间体的形式上的[1,3]-氧-碳迁移而得到均酯。
• Electroreductive Deoxygenation of Methanesulfonates of α-Hydroxy Esters via a Catalytic Selenation–Deselenation Sequence
  作者：Tsutomu Inokuchi、Tatsuya Sugimoto、Masahiko Kusumoto、Sigeru Torii

  DOI：10.1246/bcsj.65.3200

  日期：1992.11

  The methanesulfonates of α-hydroxy esters were converted to the corresponding deoxygenated esters in 70–88% yields by the indirect electrolysis with diphenyl diselenide as a recyclable reagent in a divided cell. This deoxygenation method may involve the formation of α-phenylselenoester by replacement of α-methylsulfonyloxyl group with phenylselenide anion followed by capture of the α-phenylseleno group with phenylselenide anion.

  α-羟基酯的甲磺酸盐通过在分隔电池中使用二苯二硒作为可回收试剂的间接电解法转化为相应的去氧酯，收率为70-88%。这种去氧化方法可能涉及通过用苯基硒化物阴离子替换α-甲基磺酰氧基，形成α-苯基硒酯，随后捕获α-苯基硒基。
• 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。