2-thia-3,3-dimethyl-4R-(t-butyloxycarbonylmethylene)carboxylate-5,7-diaza-6-oxo-8R-phenylacetamido-bicyclo-1R-<3,3,0>octane | 106576-13-0

• 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-thia-3,3-dimethyl-4R-(t-butyloxycarbonylmethylene)carboxylate-5,7-diaza-6-oxo-8R-phenylacetamido-bicyclo-1R-<3,3,0>octane
• CAS: 106576-13-0
• 化学式: C₂₂H₂₉N₃O₆S
• 分子量: 463.555
• InChiKey: KNKXLUZPFNNJEP-RCCFBDPRSA-N

反应信息

• 作为反应物：
  描述：

  苯甲酰氯 、 2-thia-3,3-dimethyl-4R-(t-butyloxycarbonylmethylene)carboxylate-5,7-diaza-6-oxo-8R-phenylacetamido-bicyclo-1R-<3,3,0>octane 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以61%的产率得到2-thia-3,3-dimethyl-4R-(t-butyloxycarbonylmethylene)carboxylate-5,7-diaza-6-oxo-7-benzoyl-8R-phenylacetamido-bicyclo-1R-<3,3,0>octane
  参考文献：
  名称：

  X-ray Diffraction Analysis of New ring-Enlargement Derivatives of Penicillin G: 2-thia-3,3-Dimethyl-4R-(t-Butyloxycarbonylmethylene) Carboxylate-5,7-Diaza-6-Oxo-8r-Phenylacetamido-Bicyclo-1r-[3,3,0]Octane and 2-Thia-3,3-Dimethyl-4R-(t-Butyloxycarbonylmeth

  摘要：

  AbstractThe X‐ray structures of the compounds were solved by direct methods from diffractometer data.4d: 2‐thia‐3,3‐dimethyl‐4R‐(t‐butyloxycarbonylmethylene)carboxylate‐5,7‐diaza‐6‐oxo‐8R‐phenylacetamido‐bicyclo‐1R‐[3,3,0]octane, C22H29N3O6S, monoclinic, space group P21; cell dimensions: a=13.625(6), b=8.344(3), c=10.656(3)Å, β=95.18(3)°; V=1206.4(8)Å3, Dx=1.28 gcm−3 for Z=2. 1646 measured and 1098 observed reflections. Final R=0.067.5d: 2‐thia‐3,3‐dimethyl‐4R‐(t‐butyloxycarbonylmethylene)carboxylate‐5,7‐diaza‐6‐oxo‐7‐benzoyl‐8R‐phenylacetamido‐bicyclo‐1R‐[3,3,0]octane, C29H33N3O7S. H2O, monoclinic, space group P21; cell dimensions: a=11.074(4), b=6.255(1), c=21.801(6)Å, β=92.49(3)°; V=1508.5(8)Å3; Dx=1.29 gcm−3 for Z=2.2257 measured and 1836 observed reflections. Final R: 0.071.Small but significant changes of bond lengths in the diaza pentagonal cycle are probably due to the benzoyl substituent.

  DOI：

  10.1002/bscb.19860950403
• 作为产物：
  描述：

  (2R,4S)-2-((R)-Hydroxycarbamoyl-phenylacetylamino-methyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid tert-butoxycarbonylmethyl ester 在 1-(二乙氨基)丙炔 作用下， 以 二氯甲烷 为溶剂， 以64%的产率得到2-thia-3,3-dimethyl-4R-(t-butyloxycarbonylmethylene)carboxylate-5,7-diaza-6-oxo-8R-phenylacetamido-bicyclo-1R-<3,3,0>octane
  参考文献：
  名称：

  X-ray Diffraction Analysis of New ring-Enlargement Derivatives of Penicillin G: 2-thia-3,3-Dimethyl-4R-(t-Butyloxycarbonylmethylene) Carboxylate-5,7-Diaza-6-Oxo-8r-Phenylacetamido-Bicyclo-1r-[3,3,0]Octane and 2-Thia-3,3-Dimethyl-4R-(t-Butyloxycarbonylmeth

  摘要：

  AbstractThe X‐ray structures of the compounds were solved by direct methods from diffractometer data.4d: 2‐thia‐3,3‐dimethyl‐4R‐(t‐butyloxycarbonylmethylene)carboxylate‐5,7‐diaza‐6‐oxo‐8R‐phenylacetamido‐bicyclo‐1R‐[3,3,0]octane, C22H29N3O6S, monoclinic, space group P21; cell dimensions: a=13.625(6), b=8.344(3), c=10.656(3)Å, β=95.18(3)°; V=1206.4(8)Å3, Dx=1.28 gcm−3 for Z=2. 1646 measured and 1098 observed reflections. Final R=0.067.5d: 2‐thia‐3,3‐dimethyl‐4R‐(t‐butyloxycarbonylmethylene)carboxylate‐5,7‐diaza‐6‐oxo‐7‐benzoyl‐8R‐phenylacetamido‐bicyclo‐1R‐[3,3,0]octane, C29H33N3O7S. H2O, monoclinic, space group P21; cell dimensions: a=11.074(4), b=6.255(1), c=21.801(6)Å, β=92.49(3)°; V=1508.5(8)Å3; Dx=1.29 gcm−3 for Z=2.2257 measured and 1836 observed reflections. Final R: 0.071.Small but significant changes of bond lengths in the diaza pentagonal cycle are probably due to the benzoyl substituent.

  DOI：

  10.1002/bscb.19860950403