(+/-)-1β-tert.-Butoxy-5,6,6,7a-tetrahydro-7aβ-methyl-5-oxo-4-indancarbonsaeuremethylester | 27504-57-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (+/-)-1β-tert.-Butoxy-5,6,6,7a-tetrahydro-7aβ-methyl-5-oxo-4-indancarbonsaeuremethylester
• 英文别名: methyl (1S,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylate
• CAS: 27504-57-0；27773-13-3；118100-70-2
• 化学式: C₁₆H₂₄O₄
• 分子量: 280.364
• InChiKey: NQLHOOHZKJGWQP-LRDDRELGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  (+/-)-1β-tert.-Butoxy-5,6,6,7a-tetrahydro-7aβ-methyl-5-oxo-4-indancarbonsaeuremethylester 在 Pd-BaSO₄ 氢气 作用下， 以 甲醇 为溶剂， 生成 (+/-)-1β-tert-butoxy-3aα,4β,5,6,7,7a-hexahydro-7aβ-methyl-5-oxo-4α-indancarboxylic acid methyl ester
  参考文献：
  名称：

  Structure of (±)-1β-tert-butoxy-3aα,4β,5,6,7,7a-hexahydro-7aβ-methyl-5-oxo-4α-indancarboxylic acid methyl ester at 153 K

  摘要：

  The X-ray structure of (+/-)-1beta-tert-butoxy-3aalpha,4beta,5,6,-7,7a-hexahydro-7abeta-methyl-5-oxo-4alpha-indancarboxylic acid methyl ester is reported, in which the six-membered ring adopts a pseudo chair conformation and the five-membered ring an envelope conformation.

  DOI：

  10.1107/s0108270193001684
• 作为产物：
  描述：

  (-)-(1R,7aR)-1-tert-Butoxy-7a-methyl-7,7a-dihydro-5(6H)-indanone 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (+/-)-1β-tert.-Butoxy-5,6,6,7a-tetrahydro-7aβ-methyl-5-oxo-4-indancarbonsaeuremethylester
  参考文献：
  名称：

  Structure of (±)-1β-tert-butoxy-3aα,4β,5,6,7,7a-hexahydro-7aβ-methyl-5-oxo-4α-indancarboxylic acid methyl ester at 153 K

  摘要：

  The X-ray structure of (+/-)-1beta-tert-butoxy-3aalpha,4beta,5,6,-7,7a-hexahydro-7abeta-methyl-5-oxo-4alpha-indancarboxylic acid methyl ester is reported, in which the six-membered ring adopts a pseudo chair conformation and the five-membered ring an envelope conformation.

  DOI：

  10.1107/s0108270193001684

文献信息

• Chemobiological transformations of octalone and hydrindenone derivatives
  作者：Siméon Arseniyadis、Ricardo Rodriguez、Manuel Muñoz Dorado、Rosemeire Brondi Alves、Jamal Ouazzani、Guy Ourisson

  DOI：10.1016/s0040-4020(01)85563-0

  日期：1994.1

  Examples are given for allylic hydroxylations with Rhizopus arrhizus ATCC 11145. Chemical allylic hydroxylations are compared with microbiological ones. Stereoselective lipase-catalyzed hydrolyses are used efficiently.
• Kasturi; Sai Baba; Ajay Kumar, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 12, p. 1083 - 1083
  作者：Kasturi、Sai Baba、Ajay Kumar、Banerjee

  DOI：——

  日期：——
• Biohydroxylations of hydrindenone derivatives
  作者：Siméon Arséniyadis、Jamal Ouazzani、Ricardo Rodriguez、Angel Rumbero、Guy Ourisson

  DOI：10.1016/0040-4039(91)80837-v

  日期：1991.7

  Antipodal hydrindenones are hydroxylated at the position gamma to the alpha,beta-unsaturated ketone as efficiently in both series.
• SAIBABA, R., J. INDIAN INST. SCI., 69,(1989) N, C. 318-319
  作者：SAIBABA, R.

  DOI：——

  日期：——
• SAIBABA, R.;BANERJEE, D. K.;KASTURI, T. R.;MUKHERJEE, J., PROC. INDIAN ACAD. SCI. CHEM. SCI., 99,(1987) N 5, 6, 327-339
  作者：SAIBABA, R.、BANERJEE, D. K.、KASTURI, T. R.、MUKHERJEE, J.

  DOI：——

  日期：——