2-(2-(tert-butoxycarbonylamino)-3-phenylpropanamido)acetic acid | 4530-39-6

• 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: 2-(2-(tert-butoxycarbonylamino)-3-phenylpropanamido)acetic acid
• 英文别名: N-(N-tert-butoxycarbonyl-DL-phenylalanyl)-glycine；N-(N-tert-Butoxycarbonyl-DL-phenylalanyl)-glycin；N-tert-Butoxycarbonyl-DL-phenylalanyl=>glycin；Boc-Phe-Gly-OH；2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetic acid
• CAS: 4530-39-6
• 化学式: C₁₆H₂₂N₂O₅
• 分子量: 322.361
• InChiKey: MJRWXIQFTMLYFG-UHFFFAOYSA-N

物化性质

• 沸点：
  588.5±50.0 °C(Predicted)
• 密度：
  1.204±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(2-(tert-butoxycarbonylamino)-3-phenylpropanamido)acetic acid 在 硝基甲烷 、 氢溴酸 作用下， 生成 phenylalanylglycine
  参考文献：
  名称：

  New Amine-masking Groups for Peptide Synthesis

  摘要：

  DOI：

  10.1021/ja01574a029
• 作为产物：
  描述：

  N-甲基-N-叔丁氧羰基-D-苯丙氨酸 在 1,4-二氧六环 作用下， 生成 2-(2-(tert-butoxycarbonylamino)-3-phenylpropanamido)acetic acid
  参考文献：
  名称：

  New Amine-masking Groups for Peptide Synthesis

  摘要：

  DOI：

  10.1021/ja01574a029

文献信息

• Herbicidally Active Composition
  申请人：Hupe Eike

  公开号：US20100190794A1

  公开（公告）日：2010-07-29

  The present invention relates to herbicidally active compositions comprising at least one piperazinedione compound of the formula I in which: R x , R y are each hydrogen or together are a chemical bond; R 1 is cyano or nitro; R 2 is hydrogen, fluorine, chlorine, C 1 -C 2 -alkyl, ethenyl or C 1 -C 2 -alkoxy; R 3 is fluorine or hydrogen; R 4 is methyl; R 5 is hydrogen, methyl or ethyl; R 6 is hydrogen, methyl or ethyl; and R 7 is hydrogen or halogen; and at least one further active compound selected from the group consisting of b1) lipid biosynthesis inhibitors; b2) acetolactate synthase inhibitors (ALS inhibitors); b3) photosynthesis inhibitors; b4) protoporphyrinogen-IX oxidase inhibitors, b5) bleacher herbicides; b6) enolpyruvyl shikimate 3-phosphate synthase inhibitors (EPSP inhibitors); b7) glutamine synthetase inhibitors; b8) 7,8-dihydropteroate synthase inhibitors (DHP inhibitors); b9) mitose inhibitors; b10) inhibitors of the synthesis of very long chain fatty acids (VLCFA inhibitors); b11) cellulose biosynthesis inhibitors; b12) decoupler herbicides; b13) auxin herbicides; b14) auxin transport inhibitors; b15) other herbicides, and C) safeners.

  本发明涉及具有至少一种式I的哌嗪二酮化合物的除草活性组合物： 其中： Rx，Ry分别为氢或一起为化学键； R1为氰基或硝基； R2为氢、氟、氯、C1-C2-烷基、乙烯基或C1-C2-烷氧基； R3为氟或氢； R4为甲基； R5为氢、甲基或乙基； R6为氢、甲基或乙基；以及 R7为氢或卤素； 以及从以下组中选择的至少一种进一步活性化合物： b1）脂质生物合成抑制剂； b2）乙酰乳酸合成酶抑制剂（ALS抑制剂）； b3）光合作用抑制剂； b4）原卟啉原生物合成酶抑制剂； b5）漂白剂除草剂； b6）烯丙基酮酸磷酸合酶抑制剂（EPSP抑制剂）； b7）谷氨酰胺合成酶抑制剂； b8）7,8-二氢叶酸合成酶抑制剂（DHP抑制剂）； b9）有丝分裂抑制剂； b10）非常长链脂肪酸合成抑制剂（VLCFA抑制剂）； b11）纤维素生物合成抑制剂； b12）解偶联剂除草剂； b13）生长素除草剂； b14）生长素转运抑制剂； b15）其他除草剂；以及 C）安全剂。
• Dual Catalytic Decarboxylative Allylations of α-Amino Acids and Their Divergent Mechanisms
  作者：Simon B. Lang、Kathryn M. O'Nele、Justin T. Douglas、Jon A. Tunge

  DOI：10.1002/chem.201503644

  日期：2015.12.14

  The room temperature radical decarboxylative allylation of N‐protected α‐amino acids and esters has been accomplished via a combination of palladium and photoredox catalysis to provide homoallylic amines. Mechanistic investigations revealed that the stability of the α‐amino radical, which is formed by decarboxylation, dictates the predominant reaction pathway between competing mechanisms.

  N保护的α-氨基酸和酯在室温下进行自由基脱羧烯丙基化反应，是通过钯和光氧化还原催化作用的组合来实现的，以提供均胺基胺。机理研究表明，由脱羧作用形成的α-氨基自由基的稳定性决定了竞争机制之间的主要反应途径。
• Piperazine Compounds Having Herbicidal Action
  申请人：Hupe Eike

  公开号：US20100173777A1

  公开（公告）日：2010-07-08

  The present invention relates to piperazine compounds of the general formula I defined below and to their use as herbicides. Moreover, the invention relates to compositions for crop protection and to a method for controlling unwanted vegetation. R 1 is selected from the group consisting of halogen, cyano, nitro, Z—C(═O)—R 12 , phenyl and a 5- or 6-membered heterocyclic radical which has 1, 2, 3 or 4 heteroatoms selected from the group consisting of O, N and S as ring atoms, where phenyl and the heterocyclic radical are unsubstituted or may have 1, 2, 3 or 4 substituents R 1a ; Z is a covalent bond or a CH 2 group; R 12 is hydrogen, C 1 -C 6 -alkyl, C 3 -C 6 -cycloalkyl, C 2 -C 6 -alkenyl, C 5 -C 6 -cycloalkenyl, C 2 -C 6 -alkynyl and the like; R 2 is hydrogen, halogen, nitro, cyano, C 1 -C 4 -alkyl, C 1 -C 4 -haloalkyl, C 2 -C 4 -alkenyl, C 1 -C 4 -alkoxy, C 1 -C 4 -haloalkoxy, benzyl or a group S(O) n R 21 in which R 21 is C 1 -C 4 -alkyl or C 1 -C 4 -haloalkyl and n is 0, 1 or 2; R 3 is hydrogen or halogen; R 4 is C 1 -C 4 -alkyl, C 3 -C 4 -alkenyl or C 3 -C 4 -alkynyl; R 5 is hydrogen, C 1 -C 4 -alkyl, C 3 -C 4 -alkenyl, C 3 -C 4 -alkynyl or a group C(═O)R 51 in which R 51 is hydrogen, C 1 -C 4 -alkyl, C 1 -C 4 -haloalkyl, C 1 -C 4 -alkoxy or C 1 -C 4 -haloalkoxy; R 6 is C 1 -C 4 -alkyl, C 1 -C 4 -hydroxyalkyl or C 1 -C 4 -haloalkyl; R 7 , R 8 independently of one another are hydrogen, OH, C 1 -C 4 -alkoxy, C 1 -C 4 -haloalkyloxy, C 1 -C 4 -alkyl or C 1 -C 4 -haloalkyl; R 9 , R 10 independently of one another are selected from the group consisting of hydrogen, halogen, CN, NO 2 , C 1 -C 4 -alkyl, C 1 -C 4 -haloalkyl, C 2 -C 4 -alkenyl, C 1 -C 4 -alkoxy and C 1 -C 4 -haloalkoxy; and R 11 is hydrogen or C 1 -C 4 -alkyl; and the agriculturally useful salts of these compounds.

  本发明涉及以下所定义的一般式I的哌嗪化合物以及它们作为除草剂的用途。此外，本发明涉及用于作物保护的组合物和控制不受欢迎的植被的方法。R1选择自卤素、氰基、硝基、Z—C(═O)—R12、苯基和具有1、2、3或4个杂原子（选自O、N和S作为环原子）的5-或6-成员杂环基团，其中苯基和杂环基团未取代或可能具有1、2、3或4个取代基R1a；Z是共价键或CH2基团；R12是氢、C1-C6-烷基、C3-C6-环烷基、C2-C6-烯基、C5-C6-环烯烃基、C2-C6-炔基等；R2是氢、卤素、硝基、氰基、C1-C4-烷基、C1-C4-卤代烷基、C2-C4-烯基、C1-C4-烷氧基、C1-C4-卤代烷氧基、苄基或S(O)nR21基团，其中R21是C1-C4-烷基或C1-C4-卤代烷基，n为0、1或2；R3是氢或卤素；R4是C1-C4-烷基、C3-C4-烯基或C3-C4-炔基；R5是氢、C1-C4-烷基、C3-C4-烯基、C3-C4-炔基或C(═O)R51基团，其中R51是氢、C1-C4-烷基、C1-C4-卤代烷基、C1-C4-烷氧基或C1-C4-卤代烷氧基；R6是C1-C4-烷基、C1-C4-羟基烷基或C1-C4-卤代烷基；R7、R8独立地是氢、羟基、C1-C4-烷氧基、C1-C4-卤代烷氧基、C1-C4-烷基或C1-C4-卤代烷基；R9、R10独立地选择自氢、卤素、氰基、硝基、C1-C4-烷基、C1-C4-卤代烷基、C2-C4-烯基、C1-C4-烷氧基和C1-C4-卤代烷氧基的基团；R11是氢或C1-C4-烷基；以及这些化合物的在农业上有用的盐。
• Piperazine Compounds Whith a Herbicidal Action
  申请人：Hupe Eike

  公开号：US20100152047A1

  公开（公告）日：2010-06-17

  The present invention relates to piperazine compounds of the general formula I defined below and to their use as herbicides. Moreover, the invention relates to compositions for crop protection and to a method for controlling unwanted vegetation. In formula I, the variables have the following meanings: R 1 is selected from the group consisting of halogen, cyano, nitro, Z—C(═O)—R 11 , phenyl and a 5- or 6-membered heterocyclic radical which has 1, 2, 3 or 4 heteroatoms selected from the group consisting of O, N and S as ring atoms, where phenyl and the heterocyclic radical are unsubstituted or may have 1, 2, 3 or 4 substituents R 1a ; Z is a covalent bond or a CH 2 group; R 11 is hydrogen, C 1 -C 6 -alkyl, C 3 -C 6 -cycloalkyl, C 2 -C 6 -alkenyl, C 5 -C 6 -cycloalkenyl, C 2 -C 6 -alkynyl and the like; R 2 is hydrogen, halogen, nitro, cyano, C 1 -C 4 -alkyl, C 1 -C 4 -haloalkyl, C 2 -C 4 -alkenyl, C 1 -C 4 -alkoxy, C 1 -C 4 -haloalkoxy, benzyl or a group S(O) n R 21 in which R 21 is C 1 -C 4 -alkyl or C 1 -C 4 -haloalkyl and n is 0, 1 or 2; R 3 is hydrogen or halogen; R 4 is C 1 -C 4 -alkyl, C 3 -C 4 -alkenyl or C 3 -C 4 -alkynyl; R 5 is hydrogen, C 1 -C 4 -alkyl, C 3 -C 4 -alkenyl, C 3 -C 4 -alkynyl or a group C(═O)R 51 in which R 51 is hydrogen, C 1 -C 4 -alkyl, C 1 -C 4 -haloalkyl, C 1 -C 4 -alkoxy or C 1 -C 4 -haloalkoxy; R 6 is C 1 -C 4 -alkyl, C 1 -C 4 -hydroxyalkyl or C 1 -C 4 -haloalkyl; R 7 , R 8 independently of one another are hydrogen, OH, C 1 -C 4 -alkoxy, C 1 -C 4 -haloalkyloxy, C 1 -C 4 -alkyl or C 1 -C 4 -haloalkyl; and R 9 , R 10 independently of one another are selected from the group consisting of hydrogen, halogen, CN, NO 2 , C 1 -C 4 -alkyl, C 1 -C 4 -haloalkyl, C 2 -C 4 -alkenyl, C 1 -C 4 -alkoxy and C 1 -C 4 -haloalkoxy.

  本发明涉及以下所定义的通用式I的哌嗪化合物，以及它们作为除草剂的用途。此外，该发明涉及用于农作物保护的组合物和控制不受欢迎植被的方法。在式I中，变量具有以下含义：R1从卤素、氰基、硝基、Z—C(═O)—R11、苯基和具有1、2、3或4个杂原子（选自O、N和S）作为环原子的5-或6-成员杂环基中选择，其中苯基和杂环基未取代或可能具有1、2、3或4个取代基R1a；Z是一个共价键或一个CH2基团；R11是氢、C1-C6-烷基、C3-C6-环烷基、C2-C6-烯基、C5-C6-环烯基、C2-C6-炔基等；R2是氢、卤素、硝基、氰基、C1-C4-烷基、C1-C4-卤代烷基、C2-C4-烯基、C1-C4-烷氧基、C1-C4-卤代烷氧基、苄基或一个含有S(O)nR21基团，其中R21是C1-C4-烷基或C1-C4-卤代烷基，n为0、1或2；R3是氢或卤素；R4是C1-C4-烷基、C3-C4-烯基或C3-C4-炔基；R5是氢、C1-C4-烷基、C3-C4-烯基、C3-C4-炔基或一个C(═O)R51基团，其中R51是氢、C1-C4-烷基、C1-C4-卤代烷基、C1-C4-烷氧基或C1-C4-卤代烷氧基；R6是C1-C4-烷基、C1-C4-羟基烷基或C1-C4-卤代烷基；R7、R8独立地是氢、羟基、C1-C4-烷氧基、C1-C4-卤代烷氧基、C1-C4-烷基或C1-C4-卤代烷基；以及R9、R10独立地选自氢、卤素、氰基、硝基、C1-C4-烷基、C1-C4-卤代烷基、C2-C4-烯基、C1-C4-烷氧基和C1-C4-卤代烷氧基。
• RILUZOLE PRODRUGS AND THEIR USE
  申请人：Biohaven Pharmaceutical Holding Company Ltd.

  公开号：US20180036290A1

  公开（公告）日：2018-02-08

  Pharmaceutical compositions of the invention include substituted riluzole prodrugs useful for the treatment of cancers including melanoma, breast cancer, brain cancer, and prostate cancer through the release of riluzole. Prodrugs of riluzole have enhanced stability to hepatic metabolism and are delivered into systemic circulation by oral administration, and then cleaved to release riluzole in the plasma via either an enzymatic or general biophysical release process.

  本发明的制药组合物包括替代利鲁唑前药，通过释放利鲁唑治疗包括黑色素瘤、乳腺癌、脑癌和前列腺癌等癌症。利鲁唑的前药具有增强的肝代谢稳定性，并通过口服途径输送到全身循环中，然后通过酶促或一般的生物物理释放过程在血浆中裂解释放利鲁唑。