1-oxaspiro[2.3]hexane-5-carbonitrile | 175881-33-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 环氧化物
• 英文名称: 1-oxaspiro[2.3]hexane-5-carbonitrile
• 英文别名: (E)-1-Oxaspiro[2.3]hexane-5-carbonitrile
• CAS: 175881-33-1
• 化学式: C₆H₇NO
• 分子量: 109.128
• InChiKey: RJMBUEBVWQOCAV-UHFFFAOYSA-N

物化性质

• 沸点：
  249.0±33.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-oxaspiro[2.3]hexane-5-carbonitrile 以 乙醚 为溶剂， 以40%的产率得到3-hydroxymethylbicyclo[1.1.0]butane-1-carbonitrile
  参考文献：
  名称：

  Razin, V. V.; Ulin, N. V., Russian Journal of Organic Chemistry, 1995, vol. 31, # 8, p. 1142

  摘要：

  DOI：
• 作为产物：
  描述：

  3-亚甲基环丁基甲腈 在 双氧水 作用下， 以 various solvent(s) 为溶剂， 生成 1-oxaspiro[2.3]hexane-5-carbonitrile
  参考文献：
  名称：

  Razin, V. V.; Ulin, N. V., Russian Journal of Organic Chemistry, 1995, vol. 31, # 8, p. 1142

  摘要：

  DOI：

文献信息

• Biocatalytic synthesis of strained carbocycles
  申请人：California Institute of Technology

  公开号：US10829792B2

  公开（公告）日：2020-11-10

  Provided herein are methods for producing products containing strained carbocycles, such as cyclopropene moieties and/or bicyclobutane moieties. The methods include combining an alkyne and a carbene precursor in the presence of a heme protein, e.g., a cytochrome P450, under conditions sufficient to form the strained carbocycle. Reaction mixtures for producing strained carbocycles are also described, as well as whole-cell catalysts comprising heme proteins and variants thereof for forming cyclopropenes, bicyclobutanes, and related products.

  本文提供了生产含有受约束碳环（如环丙烯分子和/或双环丁烷分子）的产品的方法。这些方法包括在血红素蛋白（如细胞色素 P450）存在下，在足以形成受约束碳环的条件下，将炔烃和碳烯前体结合。此外，还描述了用于生产受约束碳环的反应混合物，以及包含血红素蛋白及其变体的全细胞催化剂，用于形成环丙烯、双环丁烷和相关产品。
• ——
  作者：V. V. Razin

  DOI：10.1023/a:1023434410844

  日期：——

  Epoxy derivatives of 3-methylenecyclobutane-1-carbonitrile and methyl 3-methylenecyclobutane-1-carboxylate undergo isomerization into the corresponding 3-hydroxymethylbicyclobutane-1-carboxylic acid derivatives on treatment with lithium diisopropylamide in aprotic medium.
• Biocatalytic Synthesis of Strained Carbocycles
  申请人：California Institute of Technology

  公开号：US20180305721A1

  公开（公告）日：2018-10-25

  Provided herein are methods for producing products containing strained carbocycles, such as cyclopropene moieties and/or bicyclobutane moieties. The methods include combining an alkyne and a carbene precursor in the presence of a heme protein, e.g., a cytochrome P450, under conditions sufficient to form the strained carbocycle. Reaction mixtures for producing strained carbocycles are also described, as well as whole-cell catalysts comprising heme proteins and variants thereof for forming cyclopropenes, bicyclobutanes, and related products.
• [EN] BIOCATALYTIC SYNTHESIS OF STRAINED CARBOCYCLES<br/>[FR] SYNTHÈSE BIOCATALYTIQUE DE CARBOCYCLES CONTRAINTS
  申请人：CALIFORNIA INST OF TECHN

  公开号：WO2018175628A1

  公开（公告）日：2018-09-27

  Provided herein are methods for producing products containing strained carbocycles, such as cyclopropene moieties and/or bicyclobutane moieties. The methods include combining an alkyne and a carbene precursor in the presence of a heme protein, e.g., a cytochrome P450, under conditions sufficient to form the strained carbocycle. Reaction mixtures for producing strained carbocycles are also described, as well as whole-cell catalysts comprising heme proteins and variants thereof for forming cyclopropenes, bicyclobutanes, and related products.
• [EN] 1,3,4,7-TETRAHYDRO-2H-PYRROLO [3',2':5,6] PYRIDO[2,3-B] [1,4] OXAZEPINE BC1-2 INHIBITORS<br/>[FR] INHIBITEURS DE BCL-2 DE TYPE 1,3,4,7-TÉTRAHYDRO-2H-PYRROLO[3',2':5,6]PYRIDO[2,3-B][1,4]OXAZÉPINE
  申请人：[en]ABBVIE INC.

  公开号：WO2023141536A1

  公开（公告）日：2023-07-27

  The present invention provides for compounds of Formula (I) wherein A, L, W, and R1 have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of CLL, SLL, and/or ALL.