[羧基-14C]异烟酸 | 57955-08-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: [羧基-14C]异烟酸
• 英文名称: [carboxy-14C]Isonicotinic acid
• 英文别名: isonicotinic-α-14C acid；Carboxyl-^14C-isonicotinsaeure；Isonikotinsaeure-¹⁴C；pyridine-4-carboxylic acid
• CAS: 57955-08-5
• 化学式: C₆H₅NO₂
• 分子量: 125.1
• InChiKey: TWBYWOBDOCUKOW-ZQBYOMGUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [羧基-14C]异烟酸 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 以20%的产率得到4-pyridylcarbinol-α-14C
  参考文献：
  名称：

  Syntheses of N-t-butyl-?-phenylnitrone-?-14C and ?-(4-pyridyl-1-oxide)-N-t-butylnitrone-?-14C

  摘要：

  N-t-Butyl-alpha-phenylnitrone-alpha-C-14 was prepared from benzoic-alpha-C-14 acid via benzyl alcohol in 40 - 55% yield (sp. activity: 30 mCi/mmol). alpha-(4-Pyridyl-1-oxide)-N-t-butylnitrone-alpha-C-14 arrived from (BaCO3)-C-14 via carboxylation of 4-bromopyridine in 7 - 22% yield (sp. activity: 23 mCi/mmol). Both radiolabelled spin traps showed >99% radiochemical purity by HPLC and suffered <1% loss after 1 - 1.5 months storage under the conditions specified.

  DOI：

  10.1002/1099-1344(20001015)43:11<1119::aid-jlcr398>3.0.co;2-d
• 作为产物：
  描述：

  4-溴吡啶 、 二氧化碳-14C 在 正丁基锂 作用下， 以 乙醚 为溶剂， 反应 0.5h， 以70%的产率得到[羧基-14C]异烟酸
  参考文献：
  名称：

  Syntheses of N-t-butyl-?-phenylnitrone-?-14C and ?-(4-pyridyl-1-oxide)-N-t-butylnitrone-?-14C

  摘要：

  N-t-Butyl-alpha-phenylnitrone-alpha-C-14 was prepared from benzoic-alpha-C-14 acid via benzyl alcohol in 40 - 55% yield (sp. activity: 30 mCi/mmol). alpha-(4-Pyridyl-1-oxide)-N-t-butylnitrone-alpha-C-14 arrived from (BaCO3)-C-14 via carboxylation of 4-bromopyridine in 7 - 22% yield (sp. activity: 23 mCi/mmol). Both radiolabelled spin traps showed >99% radiochemical purity by HPLC and suffered <1% loss after 1 - 1.5 months storage under the conditions specified.

  DOI：

  10.1002/1099-1344(20001015)43:11<1119::aid-jlcr398>3.0.co;2-d

文献信息

• Phloem translocation of pyridinecarboxylic acids and related imidazolinone herbicides in<i>Ricinus communis</i>
  作者：Keith Chamberlain、Allen J. Tench、Roger H. Williams、Richard H. Bromilow

  DOI：10.1002/ps.2780450110

  日期：1995.9

  AbstractThe movement of [14C]pyridinecarboxylic acids was investigated in the castor bean plant Ricinus communis L. after application by petiole injection. The three isomeric unsubstituted acids appeared in similar concentrations in phloem sap taken from the upper main stem over a period of 6 h after application, but nicotinic acid occurred at higher concentrations than its isomers in phloem sap from the lower stem indicating better retention in the phloem sieve tubes. After 24 h, nicotinic acid had accumulated to a greater extent in the phloem sinks than had picolinic or isonicotinic acids. Phloem transport of substituted analogues, including dihalopyridinecarboxylic acids and imidazolinone herbicides, was measured in short‐term tests, and attempts made to relate such transport to the lipophilicity and pK,a of the compounds. Analogues of the imidazolinone, imazapyr, were less well transported than imazapyr itself, and were also much less well taken up by barley roots from nutrient solution compared to the herbicidal imidazolinone, and this could explain their low herbicidal efficacy despite a high intrinsic activity against the target enzyme acctolactate synthase.
• MERCER J. R.; WIEBE L. I.; KNAUS E. E., J. LABELLED COMPOUNDS AND RADIOPHARM., 1981, 18, NO 5, 621-628
  作者：MERCER J. R.、 WIEBE L. I.、 KNAUS E. E.

  DOI：——

  日期：——
• Syntheses of N-t-butyl-?-phenylnitrone-?-14C and ?-(4-pyridyl-1-oxide)-N-t-butylnitrone-?-14C
  作者：Diem Duy Le、Yinsheng Zhang、David H. Chien、Josef Moravek

  DOI：10.1002/1099-1344(20001015)43:11<1119::aid-jlcr398>3.0.co;2-d

  日期：2000.10.15

  N-t-Butyl-alpha-phenylnitrone-alpha-C-14 was prepared from benzoic-alpha-C-14 acid via benzyl alcohol in 40 - 55% yield (sp. activity: 30 mCi/mmol). alpha-(4-Pyridyl-1-oxide)-N-t-butylnitrone-alpha-C-14 arrived from (BaCO3)-C-14 via carboxylation of 4-bromopyridine in 7 - 22% yield (sp. activity: 23 mCi/mmol). Both radiolabelled spin traps showed >99% radiochemical purity by HPLC and suffered <1% loss after 1 - 1.5 months storage under the conditions specified.