acetyl tert-butyl carbonate | 30882-96-3

• 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
• 英文名称: acetyl tert-butyl carbonate
• 英文别名: t-Butylkohlensaeure-essigsaeure-anhydrid；(2-Methylpropan-2-yl)oxycarbonyl acetate
• CAS: 30882-96-3
• 化学式: C₇H₁₂O₄
• 分子量: 160.17
• InChiKey: QGZNTONZSPXNTB-UHFFFAOYSA-N

物化性质

• 沸点：
  177.5±23.0 °C(Predicted)
• 密度：
  1.060±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  acetyl tert-butyl carbonate 、 n-辛基-β-D-吡喃葡萄糖苷 在 4-二甲氨基吡啶 、 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 生成 Octyl β-D-glucopyranoside 6-O-acetate 、 Octyl β-D-glucopyranoside 3-O-acetate 、 Octyl β-D-glucopyranoside 4-O-acetate 、 Octyl β-D-glucopyranoside 2-O-acetate
  参考文献：
  名称：

  Counterion-Directed Regioselective Acetylation of Octyl β-d-Glucopyranoside

  摘要：

  The DMAP-catalyzed acetylation Of octyl beta-D-glucopyranoside with a series of acetylating agents has been investigated. The nature of the counterion of the catalytic DMAP-acetyl complex dramatically influences the outcome of the reaction, indicating that the deprotonation of the transition state is controlling the reaction. Noncovalent interactions of the acetate ion with the substrate seem to direct the acetylation toward secondary hydroxyl groups.

  DOI：

  10.1021/ol0364935
• 作为产物：
  描述：

  乙酰氯 、 Kohlensaeure-t-butyl-trimethylsilylester 在 吡啶 作用下， 以 四氢呋喃 为溶剂， 生成 acetyl tert-butyl carbonate
  参考文献：
  名称：

  Preparation and reaction of tert-butyl trimethylsilyl carbonate and related compounds

  摘要：

  DOI：

  10.1021/jo00819a010

文献信息

• Sulfone derivatives, process for their production and use thereof
  申请人：——

  公开号：US20030187023A1

  公开（公告）日：2003-10-02

  A compound represented by the formula: 1 wherein R is a cyclic hydrocarbon group, or the like; W is a bond, or the like; X is a divalent hydrocarbon group, or the like; Y and Z are each independently —N(R 6 )— or the like; ring A is a nitrogen-containing heterocyclic ring, or the like; R5 and R6 are independently hydrogen atom, a hydrocarbon group, or the like; Z′ is imidoyl group, or the like; a is 0, 1 or 2; and b is 0 or 1, or a salt thereof.

  一个由以下式表示的化合物： 其中R是一个环烃基团，或类似物；W是一个键，或类似物；X是一个二价碳氢基团，或类似物；Y和Z分别独立地为—N(R6)—或类似物；环A是一个含氮杂环环，或类似物；R5和R6独立地为氢原子、一个碳氢基团，或类似物；Z′是亚胺基团，或类似物；a为0、1或2；b为0或1，或其盐。
• SELECTIVE BACE1 INHIBITORS
  申请人：Eli Lilly and Company

  公开号：US20160244465A1

  公开（公告）日：2016-08-25

  The present invention provides a compound of Formula II: or a pharmaceutically acceptable salt thereof.

  本发明提供了化合物II的一种，或其药学上可接受的盐。
• [EN] N-[3-[2-AMINO-5-(1,1-DIFLUOROETHYL)-4,4A,5,7-TETRAHYDROFURO[3,4-D][1,3]OXAZIN-7A-YL]-4-FLUORO-PHENYL]-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXAMIDE AND ITS (4AR,5S,7AS) ISOMER AS A SELECTIVE BACE1 INHIBITOR FOR TREATING E.G. ALZHEIMER'S DISEASE<br/>[FR] N-[3-[2-AMINO-5-(1,1-DIFLUOROÉTHYL)-4,4A,5,7-TÉTRAHYDROFURO[3,4-D][1,3]OXAZIN-7A-YL]-4-FLUORO-PHÉNYL]-5-(TRIFLUOROMÉTHYL)PYRIDINE-2-CARBOXAMIDE ET SON ISOMÈRE (4AR,5S,7AS) UTILISÉS EN TANT QU'INHIBITEUR SÉLECTIF DE BACE1 DANS LE TRAITEMENT DE LA MALADIE D'ALZHEIMER, PAR EXEMPLE
  申请人：LILLY CO ELI

  公开号：WO2017200863A1

  公开（公告）日：2017-11-23

  The present invention provides N-[3-[2-Amino-5-(1,1-difluoroethyl) -4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl]-4-fluoro-phenyl]-5- (trifluoromethyl)pyridine-2-carboxamide, i.e. the compound of Formula I: [Formula should be inserted here] or a pharmaceutically acceptable salt thereof and in particular its (4aR,5S,7aS) isomer as a selective BACE1 inhibitor for treating e.g. Alzheimer's disease and the progression of mild cognitive impairment to Alzheimer's disease.

  本发明提供了N-[3-[2-氨基-5-(1,1-二氟乙基)-4,4a,5,7-四氢呋喃[3,4-d][1,3]噁唑-7a-基]-4-氟苯基]-5-(三氟甲基)吡啶-2-羧酰胺，即化合物的化学式I：[Formula should be inserted here]或其药学上可接受的盐，特别是其(4aR,5S,7aS)异构体，作为选择性BACE1抑制剂，用于治疗例如阿尔茨海默病以及从轻度认知障碍发展为阿尔茨海默病的进展。
• Sulfonamide derivatives, their production and use
  申请人：——

  公开号：US20020193382A1

  公开（公告）日：2002-12-19

  The present invention is to provide a compound or a salt thereof represented by the formula: 1 wherein R 1 is an optionally substituted hydrocarbon group or an optionally substituted heterocyclic group, the ring A is an optionally substituted divalent nitrogen-containing heterocyclic group, X′ is an optionally substituted alkylene chain, Y is an optionally substituted divalent cyclic group, X is a chemical bond or an optionally substituted alkylene chain, and Z is (1)an optionally substituted amino group, (2) an optionally substituted imidoyl group or (3) an optionally substituted nitrogen-containing heterocyclic group, or a pro-drug thereof, which have activated coagulation factor X inhibitory activity and which is useful as anti-coagulant.

  本发明提供了一种化合物或其盐，其化学式为1，其中R1是可选取代的烃基或可选取代的杂环基，环A是可选取代的含氮双价杂环基，X'是可选取代的烷基链，Y是可选取代的双价环状基团，X是化学键或可选取代的烷基链，Z是（1）可选取代的氨基，（2）可选取代的咪唑基或（3）可选取代的含氮杂环基团，或其前药，具有活化凝血因子X抑制活性，可用作抗凝剂。
• Carbamate derivatives, process for producing the same and use thereof
  申请人：——

  公开号：US20040038986A1

  公开（公告）日：2004-02-26

  Novel carbamate derivatives which are useful as drugs because of inhibiting activated blood coagulation factor X and thus exerting an anticoagulant effect. Compounds represented by the formula: 1 wherein R 1 represents a group represented by the formula: 2 (wherein Y 1 represents CH═CH, etc.), which may be substituted, etc.; the ring A represents an oxo-substituted nitrogen-containing heterocyclic ring which may be further substituted; R 2 represents a hydrogen atom, optionally substituted C 1-4 alkyl, etc.; R 3 represents optionally substituted C 1-4 alkyl, etc.; and Z represents an optionally substituted nitrogen containing heterocyclic group, etc., or salts thereof.

  这是一种新型的氨基甲酸酯衍生物，由于抑制了激活的血凝血因子X而具有抗凝作用，因此可用作药物。化合物由公式1表示，其中R1表示公式2表示的基团（其中Y1表示CH═CH等），可以被取代等；环A表示氧代氮杂环环，可以进一步被取代；R2表示氢原子，可选取代的C1-4烷基等；R3表示可选取代的C1-4烷基等；Z表示可选取代的含氮杂环基团等，或其盐。