叔丁基碳酸氢酯 | 51300-90-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 中文名称: 叔丁基碳酸氢酯
• 中文别名: 碳酸氢叔-丁酯
• 英文名称: tert-butyl hydrogen carbonate
• CAS: 51300-90-4
• 化学式: C₅H₁₀O₃
• 分子量: 118.133
• InChiKey: XKXIQBVKMABYQJ-UHFFFAOYSA-N

物化性质

• 沸点：
  160.1±23.0 °C(Predicted)
• 密度：
  1.053±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2920909090

反应信息

• 作为反应物：
  描述：

  叔丁基碳酸氢酯 在 氯化亚砜 作用下， 以 水 为溶剂， 生成 叔-丁基氯甲酸酯
  参考文献：
  名称：

  通过氢键和疏水相互作用组装的多相凝聚层

  摘要：

  凝聚已成为分隔活细胞中生物分子的普遍机制。合成凝聚层有助于理解组装过程并模仿生物凝聚层的功能作为简化的人工系统。尽管由带电凝聚层形成的凝聚层的分子机制和介观性质已得到充分研究，但非离子凝聚层的组装和稳定的细节仍然很大程度上未知。在这里，我们描述了形成凝聚层的聚酯酰胺库，并表明水-叔酰胺桥联氢键和疏水相互作用稳定了这些非离子单组分凝聚层。与细胞内生物凝聚层类似，这些凝聚层表现出低粘度和低界面能的“液体状”特征，并形成具有少至五个重复单元的凝聚层。通过控制温度和设计疏水相互作用位点与桥联氢键位点之间的摩尔比，我们证明了聚酯酰胺基凝聚层的粘度和界面张力的可调性。利用这些非离子凝聚层介观性质的差异，我们设计了具有类似于细胞内生物凝聚层的核壳结构的多相凝聚层，例如核仁和应力颗粒-p-体复合物。由这些合成的非离子聚酯酰胺凝聚层产生的多相结构可以作为研究活细胞用于时空控制货物分配、生化反应速率和细胞间信号传输的物理化学原理的有价值的工具。

  DOI：

  10.1021/jacs.3c06675
• 作为产物：
  描述：

  水 以76%的产率得到
  参考文献：
  名称：

  EVANS, DAVID A.;BRITTON, THOMAS C.;ELLMAN, JON A., TETRAHEDRON LETT., 28,(1987) N 49, 6141-6144

  摘要：

  DOI：
• 作为试剂：
  描述：

  1-Boc-4-[甲氧基(甲基)氨基甲酰]哌嗪 在 lithium aluminium tetrahydride 、 叔丁基碳酸氢酯 、 三乙酰氧基硼氢化钠 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 、 三氟乙酸 作用下， 以 乙醚 、 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 4.0h， 生成 (S)-benzyl 6-benzyloxycarbonylamino-2-[({1-[(S)-2-(tert-butoxycarbonylamino)propanoyl]piperidin-4-yl}methyl)amino]hexanoate
  参考文献：
  名称：

  Zivec, Matej; Turk, Samo; Blanot, Didier, Acta Chimica Slovenica, 2011, vol. 58, # 1, p. 95 - 109

  摘要：

  DOI：

文献信息

• Cyclic hydroxamates, especially multiply substituted [1,2]oxazinan-3-ones
  作者：Saul Wolfe、Marie-Claire Wilson、Ming-Huei Cheng、Gennady V Shustov、Christiana I Akuche

  DOI：10.1139/v03-122

  日期：2003.8.1

  Routes to putative N-acyl-D-ala-D-ala surrogates, beginning with the conversion of 4-, 5-, and 6-membered lactones into 5-, 6-, and 7-membered cyclic hydroxamates, are reported. The key step of the synthesis is trimethylaluminium-promoted cyclization of an ω-aminooxyester. The 7-membered cyclic hydroxamate crystallizes in a chair conformation. Extension of the reaction sequence to homoserine or homoserine lactone leads to cyclocanaline and N-acylated cyclocanalines. The 4-phenylacetamido derivative of cyclocanaline crystallizes in a boat conformation. The attachment of a 2-carboxypropyl substituent to the ring nitrogen of a 4-acylaminocyclocanaline has been effected, prior to cyclization, by coupling of the acyclic aminooxyester precursor to the triflate of benzyl lactate or, after cyclization, by coupling to tert-butyl α-bromopropionate in the presence of potassium fluoride – alumina, followed by removal of the protecting group in each case. A six-membered homolog of the antibiotic lactivicin has been synthesized by the reaction of 4-phenylacetamidocyclocanaline with benzyl 2-oxoglutarate in the presence of carbodiimide, followed by hydrogenolysis. Starting with methyl 2,4-dibromo-2,4-dideoxy-L-erythronate, which is available in two steps from L-ascorbic acid, these reaction sequences have been applied to the stereospecific synthesis of a D-alanine derivative whose nitrogen atom is enclosed within a 3,4-disubstituted [1,2]oxazinan-3-one. Key words: D-ala-D-ala surrogate, cyclocanaline, homolactivicin, peptidoglycan, trimethylaluminium.

  报道了将假定的N-酰-D-阿拉-D-阿拉替代物的合成途径，从将4、5和6元环内酯转化为5、6和7元环氢氧化物开始。合成的关键步骤是ω-氨氧酯的三甲基铝促进的环化反应。7元环氢氧化物以椅式构象结晶。将反应序列扩展到同型丝氨酸或同型丝氨酸内酯会导致环康纳林和N-酰化环康纳林的形成。环康纳林的4-苯乙酰氨基衍生物以船式构象结晶。在环康纳林的4-酰氨基环康纳林的环氮上附加2-羧基丙基取代基，可以通过将无环氨氧酯前体与苄乳酸三甲酯的三氟甲磺酸酯偶联，或在环化之后，通过与三氟甲基丙酸叔丁酯在氟化钾-氧化铝存在下偶联，然后在每种情况下去除保护基来实现。通过4-苯乙酰氨基环康纳林与苄基2-氧戊二酸酯在异亚胺存在下反应，然后进行氢解，合成了抗生素拉维西汀的六元同系物。从甲基2,4-二溴-2,4-二去氧-L-赤葡萄糖酸甲酯开始，该物质可以从抗坏血酸中经过两步合成，这些反应序列已被应用于立体特异性合成一种D-丙氨酸衍生物，其氮原子被包含在一个3,4-二取代[1,2]噁唑烷-3-酮内。关键词：D-ala-D-ala替代物，环康纳林，同型拉维西汀，肽聚糖，三甲基铝。
• NITROGENOUS COMPOUNDS AND ANTIVIRAL DRUGS CONTAINING THE SAME
  申请人：Kureha Chemical Industry Co., Ltd.

  公开号：EP1273571A1

  公开（公告）日：2003-01-08

  The present invention provides novel compounds having antiviral activities and antiviral drugs containing the compounds as the active ingredient. The compounds are shown by the following general formula (1), wherein typically A1 and A2 are each guanidine or a group of the general fomula (ia) ; A3 is a mono- or poly-cyclic heteroaromatic ring contining 1 or 2 heteroatoms ; B1 is a single bond or alkylene group; R1 is hydrogen or alkyl group; W is an alkylene having 2-3 carbons, a cycloalkylene having 5-10 carbons, aromatic ring having 6-10 carbons, or a heteroaromatic ring having 5-10 carbons; y is C(=O)-; x is -C(=O)-NH-; n1 is an integer of 1-2; n2 is an integer of 2-3; D is a substituent selected from among various groups.

  本发明提供了具有抗病毒活性的新化合物以及含有这些化合物作为活性成分的抗病毒药物。这些化合物由以下一般式（1）所示，其中通常A1和A2分别是胍或一般式（ia）的基团；A3是含有1个或2个杂原子的单环或多环杂芳环；B1是单键或烷基基团；R1是氢或烷基基团；W是具有2-3个碳的烷基、具有5-10个碳的环烷基、具有6-10个碳的芳香环或具有5-10个碳的杂芳环；y是C(=O)-；x是-C(=O)-NH-；n1是1-2的整数；n2是2-3的整数；D是从各种基团中选择的取代基。
• 1-cyclopropyl-6-fluoro-8-alkyl-1,4-dihydro-4-oxo-quinoline-3-carboxylic
  申请人：Otsuka Pharmaceutical Company, Limited

  公开号：US04855292A1

  公开（公告）日：1989-08-08

  Novel 4-oxoquinoline-3-carboxylic acid compounds of the formula: ##STR1## wherein R.sup.2 is 1-pyrrolidinyl which may have 1 to 2 substituents selected from the group consisting of (i) C.sub.1 -C.sub.6 alkyl, (ii) amino-(C.sub.1 -C.sub.6)alkyl, said amino being optionally substituted by 1 or 2 substituents selected from C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.6 alkanoyl, and C.sub.1 -C.sub.6 alkoxycarbonyl, (iii) amino which may be substituted by 1 or 2 substituents selected from C.sub.1 -C.sub.6 alkyl, phenyl(C.sub.1 -C.sub.6)alkyl, C.sub.1 -C.sub.6 alkoxycarbonyl, and C.sub.1 -C.sub.6 alkanoyl, and (iv) 2-oxo-1,3-dioxolenemethylamino which is substituted by C.sub.1 -C.sub.6 alkyl; or 1-piperidinyl which may have 1 to 3 substituents selected from oxo, hydroxy, halogen and C.sub.1 -C.sub.6 alkyl, and R.sup.3 is C.sub.1 -C.sub.6 alkyl, or a pharmaceutically acceptable salt thereof, said compounds having excellent antimicrobial activity and hence being useful as an antimicrobial agent, and a pharmaceutical composition containing said compound as an active ingredient.

  化合物的结构式为：##STR1##其中，R.sup.2是1-吡咯烷基，可以有1至2个取自下列组的取代基：(i) C.sub.1 -C.sub.6烷基，(ii) 氨基-(C.sub.1 -C.sub.6)烷基，该氨基可以被1或2个取自C.sub.1 -C.sub.6烷基、C.sub.1 -C.sub.6酰基和C.sub.1 -C.sub.6烷氧羰基的取代基取代，(iii) 氨基，可以被1或2个取自C.sub.1 -C.sub.6烷基、苯基(C.sub.1 -C.sub.6)烷基、C.sub.1 -C.sub.6烷氧羰基和C.sub.1 -C.sub.6酰基的取代基取代，以及(iv) 2-氧代-1,3-二氧杂环戊烷甲基氨基，该氨基被C.sub.1 -C.sub.6烷基取代；或1-哌啶基，可以有1至3个取自氧代、羟基、卤素和C.sub.1 -C.sub.6烷基的取代基，R.sup.3是C.sub.1 -C.sub.6烷基，或其药学上可接受的盐。这些化合物具有优异的抗微生物活性，因此可用作抗微生物剂，并且含有上述化合物作为活性成分的制药组合物。
• Heterocyclic compound having oxime group
  申请人：Yoshida Ichiro

  公开号：US20050227959A1

  公开（公告）日：2005-10-13

  The present invention provides a compound that has an excellent inhibitory activity on STAT6 activation and is effective against allergic diseases, and a medicinal composition thereof. According to the present invention, disclosed is the compound represented by the General Formula (I) [where R 1 and R 2 independently represent a C 1-6 alkyl group and the like that may have a hydrogen atom or a substituent; R 3 represents a C 1-6 alkyl group and the like that may have a substituent; R 4 and R 5 independent represents a hydrogen atom or a C 1-6 alkyl group and the like that may have a substituent; R 6 represents a hydrogen atom and the like; W represents —SO 2 — and the like; and X represents a sulphur atom and the like.]or a salt thereof, or a hydrate thereof.

  本发明提供了一种对STAT6激活具有优异的抑制活性，对过敏性疾病有效的化合物及其药用组合物。根据本发明，所披露的化合物由一般式(I)表示[其中R1和R2独立地表示C1-6烷基和可能具有氢原子或取代基等；R3表示C1-6烷基和可能具有取代基等；R4和R5独立地表示氢原子或C1-6烷基和可能具有取代基等；R6表示氢原子等；W表示—SO2—等；X表示硫原子等]或其盐，或其水合物。
• Indole compound
  申请人：Yasuma Tsuneo

  公开号：US20080096877A1

  公开（公告）日：2008-04-24

  The purpose of the present invention is to provide a glucokinase activator useful as a pharmaceutical agent such as an agent for the prophylaxis or treatment of diabetes, obesity and the like. The present invention provides a glucokinase activator containing a compound represented by the formula (I): wherein R 1 is a hydrogen atom or a halogen atom; R 2 is a group represented by wherein each symbol is defined in the specification, or a salt thereof or a prodrug thereof.

  本发明的目的是提供一种葡萄糖激酶激活剂，可用作药物剂，例如预防或治疗糖尿病、肥胖症等疾病的药剂。本发明提供了一种含有式(I)所表示的化合物的葡萄糖激酶激活剂：其中R1是氢原子或卤素原子；R2是由式中各符号定义的基团，或其盐或前药。