Propanedioic acid, (iodomethyl)methyl-, 1,1-dimethylethyl methyl ester | 500005-29-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Propanedioic acid, (iodomethyl)methyl-, 1,1-dimethylethyl methyl ester
• 英文别名: methyl tert-butyl 2-(iodomethyl)-2-methylmalonate
• CAS: 500005-29-8
• 化学式: C₁₀H₁₇IO₄
• 分子量: 328.147
• InChiKey: GKNJIDYPBSONJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.94
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  Propanedioic acid, (iodomethyl)methyl-, 1,1-dimethylethyl methyl ester 在 三氟乙酸 作用下， 反应 1.0h， 生成
  参考文献：
  名称：

  摘要：

  The vitamin-B-12 derivative 11, incorporating a peripheral N-4-acetylcytosine moiety, was alkylated under, guanine reductive conditions with 2-(iodomethyl)-2-methylmonothiomalonate 8 bearing the complementary moiety. The reaction yielded a mixture of vitamin-B-12-derived complexes with variations in the cytosine moiety: products 16-18 with a cytosine, a N-4-acetylated cytosine and a N-4-acetylated reduced cytosine moiety were formed (see Scheme 5). The complexes were photolyzed in CHCl3/MeCN to yield the dimethylmalonate derivative 22 (Scheme 6) but not the rearranged succinate, in contrast to the results obtained earlier with complexes incorporating the A(.)T base pair (see Scheme 1).

  DOI：

  10.1002/1522-2675(200209)85:9<3002::aid-hlca3002>3.0.co;2-b
• 作为产物：
  描述：

  二碘甲烷 、 3-甲基-2-甲基丙二酸-1-叔丁基酯 在 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 反应 3.5h， 以85%的产率得到Propanedioic acid, (iodomethyl)methyl-, 1,1-dimethylethyl methyl ester
  参考文献：
  名称：

  摘要：

  The vitamin-B-12 derivative 11, incorporating a peripheral N-4-acetylcytosine moiety, was alkylated under, guanine reductive conditions with 2-(iodomethyl)-2-methylmonothiomalonate 8 bearing the complementary moiety. The reaction yielded a mixture of vitamin-B-12-derived complexes with variations in the cytosine moiety: products 16-18 with a cytosine, a N-4-acetylated cytosine and a N-4-acetylated reduced cytosine moiety were formed (see Scheme 5). The complexes were photolyzed in CHCl3/MeCN to yield the dimethylmalonate derivative 22 (Scheme 6) but not the rearranged succinate, in contrast to the results obtained earlier with complexes incorporating the A(.)T base pair (see Scheme 1).

  DOI：

  10.1002/1522-2675(200209)85:9<3002::aid-hlca3002>3.0.co;2-b

文献信息

• ——
  作者：Fang-Ping Sun、Tamis Darbre

  DOI：10.1002/1522-2675(200209)85:9<3002::aid-hlca3002>3.0.co;2-b

  日期：2002.9

  The vitamin-B-12 derivative 11, incorporating a peripheral N-4-acetylcytosine moiety, was alkylated under, guanine reductive conditions with 2-(iodomethyl)-2-methylmonothiomalonate 8 bearing the complementary moiety. The reaction yielded a mixture of vitamin-B-12-derived complexes with variations in the cytosine moiety: products 16-18 with a cytosine, a N-4-acetylated cytosine and a N-4-acetylated reduced cytosine moiety were formed (see Scheme 5). The complexes were photolyzed in CHCl3/MeCN to yield the dimethylmalonate derivative 22 (Scheme 6) but not the rearranged succinate, in contrast to the results obtained earlier with complexes incorporating the A(.)T base pair (see Scheme 1).