1,1-diacetoxy-acetone | 116487-91-3

• 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: 1,1-diacetoxy-acetone
• 英文别名: α.α-Diacetoxy-aceton；Diacetylmethylglyoxal；1,1-Diacetoxy-aceton；Diacetoxyacetone；(1-acetyloxy-2-oxopropyl) acetate
• CAS: 116487-91-3
• 化学式: C₇H₁₀O₅
• 分子量: 174.153
• InChiKey: UQCJFKIZCSWJEH-UHFFFAOYSA-N

物化性质

• 沸点：
  245.7±30.0 °C(Predicted)
• 密度：
  1.172±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,1-diacetoxy-acetone 、 双氧水 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Fischer,H.O.L.; Feldmann, Chemische Berichte, 1929, vol. 62, p. 862

  摘要：

  DOI：
• 作为产物：
  描述：

  1,3-二乙酰氧基丙酮 生成 1,1-diacetoxy-acetone
  参考文献：
  名称：

  TANG, HUI-TONG;CHEN, SHU-HSIN;ZHANG, PANG, ACTA CHIM. SIN., 1985, 43, N 1, 72-78

  摘要：

  DOI：

文献信息

• Synthesis of cyclosporin analogs
  申请人：Isotechnika, Inc.

  公开号：US20030212249A1

  公开（公告）日：2003-11-13

  The invention is directed to isomeric mixtures of cyclosporine analogues that are structurally similar to cyclosporine A. The mixtures possess enhanced efficacy and reduced toxicity over the individual isomers and over naturally occurring and other presently known cyclosporines and cyclosporine derivatives. Embodiments of the present invention are directed toward cis and trans-isomers of cyclosporin A analogs referred to as ISA TX 247, and derivatives thereof. ISA TX 247 isomers and alkylated, arylated, and deuterated derivatives are synthesized by stereoselective pathways where the particular conditions of a reaction determine the degree of stereoselectivity. Stereoselective pathways may utilize a Wittig reaction, or an organometallic reagent comprising inorganic elements such as boron, silicon, titanium, and lithium. The ratio of isomers in a mixture may range from about 10 to 90 percent by weight of the (E)-isomer to about 90 to 10 percent by weight of the (Z)-isomer, based on the total weight of the mixture.

  本发明涉及与环孢霉素A结构相似的环孢霉素类似物的异构混合物。这些混合物具有比单个异构体和天然存在的及其他目前已知的环孢霉素和环孢霉素衍生物更高的功效和降低的毒性。本发明的实施例涉及被称为ISATX247的环孢霉素A类似物的顺反异构体及其衍生物。通过立体选择性途径合成ISATX247异构体和烷基化、芳基化和氘代衍生物，其中反应的特定条件决定立体选择性的程度。立体选择性途径可以利用Wittig反应或包含硼、硅、钛和锂等无机元素的有机金属试剂。混合物中的异构体比例可以从(E)-异构体的约10至90重量百分比到(Z)-异构体的约90至10重量百分比，基于混合物的总重量。
• Synthesis of Cyclosporin Analogs
  申请人：Naicker Selvaraj A.

  公开号：US20100062976A1

  公开（公告）日：2010-03-11

  The invention is directed to isomeric mixtures of cyclosporine analogues that are structurally similar to cyclosporine A. The mixtures possess enhanced efficacy and reduced toxicity over the individual isomers and over naturally occurring and other presently known cyclosporines and cyclosporine derivatives. Embodiments of the present invention are directed toward cis and trans-isomers of cyclosporin A analogs referred to as ISA TX 247, and derivatives thereof. ISA TX 247 isomers and alkylated, arylated, and deuterated derivatives are synthesized by stereoselective pathways where the particular conditions of a reaction determine the degree of stereoselectivity. Stereoselective pathways may utilize a Wittig reaction, or an organometallic reagent comprising inorganic elements such as boron, silicon, titanium, and lithium. The ratio of isomers in a mixture may range from about 10 to 90 percent by weight of the (E)-isomer to about 90 to 10 percent by weight of the (Z)-isomer, based on the total weight of the mixture.

  本发明涉及环孢霉素类似物的同分异构体混合物，其结构类似于环孢霉素A。这些混合物具有比单个同分异构体以及天然存在的和其他目前已知的环孢霉素和环孢霉素衍生物具有更高的功效和更低的毒性。本发明的实施例涉及环孢霉素A类似物的顺式和反式同分异构体，称为ISATX247及其衍生物。通过立体选择性途径合成ISATX247同分异构体和烷基化、芳基化和氘代衍生物，其中反应的特定条件决定立体选择性的程度。立体选择性途径可以利用韦特希格反应或包含硼、硅、钛和锂等无机元素的有机金属试剂。混合物中同分异构体的比例可以从(E)-同分异构体的重量约占混合物总重量的10％至90％，到(Z)-同分异构体的重量约占混合物总重量的90％至10％。
• SYNTHESIS OF CYCLOSPORIN ANALOGS
  申请人：Naicker Selvaraj A.

  公开号：US20110092669A1

  公开（公告）日：2011-04-21

  The invention is directed to isomeric mixtures of cyclosporine analogues that are structurally similar to cyclosporine A. The mixtures possess enhanced efficacy and reduced toxicity over the individual isomers and over naturally occurring and other presently known cyclosporines and cyclosporine derivatives. Embodiments of the present invention are directed toward cis and trans-isomers of cyclosporin A analogs referred to as ISA TX 247, and derivatives thereof. ISA TX 247 isomers and alkylated, arylated, and deuterated derivatives are synthesized by stereoselective pathways where the particular conditions of a reaction determine the degree of stereoselectivity. Stereoselective pathways may utilize a Wittig reaction, or an organometallic reagent comprising inorganic elements such as boron, silicon, titanium, and lithium. The ratio of isomers in a mixture may range from about 10 to 90 percent by weight of the (E)-isomer to about 90 to 10 percent by weight of the (Z)-isomer, based on the total weight of the mixture.

  本发明涉及对环孢霉素A类似物的异构混合物，其结构类似于环孢霉素A。这些混合物具有比单个异构体以及自然存在和其他目前已知的环孢霉素和环孢霉素衍生物更强的功效和较低的毒性。本发明的实施例涉及环孢霉素A类似物的顺反异构体，称为ISATX247及其衍生物。通过立体选择性反应合成ISATX247异构体和烷基化，芳基化和氘代衍生物，其中反应的特定条件决定立体选择性的程度。立体选择性反应途径可以利用Wittig反应或含有硼，硅，钛和锂等无机元素的有机金属试剂。混合物中异构体的比例可以从(E)-异构体的重量约为10％至90％，到(Z)-异构体的重量约为90％至10％，基于混合物的总重量。
• Immunomodulators
  申请人：Bristol-Myers Squibb Company

  公开号：US20160137696A1

  公开（公告）日：2016-05-19

  The present disclosure provides compounds which are immunomodulators and thus are useful for the amelioration of various diseases, including cancer and infectious diseases.

  本公开提供具有免疫调节作用的化合物，因此可用于改善各种疾病，包括癌症和传染病。
• [EN] SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS<br/>[FR] DÉRIVÉS DE SPIROCYCLOHEXANE, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT ET LEURS UTILISATIONS EN TANT QU'INHIBITEURS ANTI-APOPTOTIQUES
  申请人：SERVIER LAB

  公开号：WO2022152705A1

  公开（公告）日：2022-07-21

  Compounds of Formula (I) wherein R1, R3, R11, R12, X, Y1, Y2, Y3, Y4and formula (II) are as defined in the description. Medicaments.

  公式（I）化合物，其中R1、R3、R11、R12、X、Y1、Y2、Y3、Y4和公式（II）如描述中所定义。药物。