3-tert-butyl-4-methylcyclobut-3-ene-1,2-dione | 114094-90-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-tert-butyl-4-methylcyclobut-3-ene-1,2-dione
• 英文别名: 3-tert-butyl-4-methylcyclobutene-1,2-dione；3-Tert-butyl-4-methyl-3-cyclobutene-1,2-dione
• CAS: 114094-90-5
• 化学式: C₉H₁₂O₂
• 分子量: 152.193
• InChiKey: ZTEVHZHPGFPUGK-UHFFFAOYSA-N

物化性质

• 沸点：
  50-52 °C(Press: 0.2 Torr)
• 密度：
  1.091±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-tert-butyl-4-methylcyclobut-3-ene-1,2-dione 在 sodium tetrahydroborate 、 cerium(III) chloride 作用下， 以 乙醇 为溶剂， 以50%的产率得到cis-3-t-butyl-4-methyl-3-cyclobuten-1,2-diol
  参考文献：
  名称：

  制备侧链环丁二烯三羰基铁配合物的新方法

  摘要：

  摘要 已开发出简单、经济且更实用的方法来合成侧链环丁二烯金属配合物的前体。单取代和双取代的 1,2- 环丁烯二酮的轻松还原得到环丁烯二醇，然后用 PBr3 将其转化为相应的反式二溴化物。使用 Fe2(CO)9 的还原和络合形成了高产率的侧链环丁二烯三羰基铁络合物。

  DOI：

  10.1080/00397919208021603
• 作为产物：
  描述：

  1-tert-Butyl-4-(tert-butyl-dimethyl-silanyloxy)-2,3-diisopropoxy-4-methyl-cyclobut-2-enol 在 acid 作用下， 以96%的产率得到3-tert-butyl-4-methylcyclobut-3-ene-1,2-dione
  参考文献：
  名称：

  Cyclobutenediones as precursors to quinones and cyclopentenones

  摘要：

  DOI：

  10.1016/s0040-4020(01)80131-9

文献信息

• Metalloprotease inhibitors
  申请人：Sucholeiki Irving

  公开号：US20080021024A1

  公开（公告）日：2008-01-24

  The present invention relates to amide containing aromatic MMP inhibiting compounds with a mono-amide heteroaromatic group, of formulas I and II:

  本发明涉及具有含芳香族MMP抑制化合物的酰胺，其具有单酰胺杂芳基团，化学式I和II：
• An improved method for the synthesis of substituted cyclobutenediones
  作者：Lanny S. Liebeskind、Richard W. Fengl、Kevin R. Wirtz、Thomas T. Shawe

  DOI：10.1021/jo00246a017

  日期：1988.5
• <i>tert</i>-Butyl Substituent as a Regiodirecting and Novel C−H Protecting Group in Cyclobutenedione-Based Benzannulation Chemistry
  作者：Fuqiang Liu、Lanny S. Liebeskind

  DOI：10.1021/jo971565p

  日期：1998.5.1

  2-Unsubstituted hydroquinone monoacetates, quinones, and 3-unsubstituted quinolizinones were synthesized in moderate to high yields via tert-butyl and trimethylsilyl substituted cyclobutenediones. The addition of unsaturated carbon nucleophiles proceeded regiospecifically at the carbonyl group most distant from the tert-butyl or trimethylsilyl substituent. Thermolysis of the adducts, followed by treatment under acidic conditions to remove the tert-butyl and trimethylsilyl groups in good overall yields, provided access to a variety of "less-substituted" hydroquinone monoacetates, quinones, and quinolizinones. Of the two systems, the tert-butyl-substituted cyclobutenediones proved the most useful.
• LIEBESKIND, LANNY S.;FENGL, RICHARD W.;WIRTZ, KEVIN R.;SHAWE, THOMAS T., J. ORG. CHEM., 53,(1988) N 11, C. 2482-2488
  作者：LIEBESKIND, LANNY S.、FENGL, RICHARD W.、WIRTZ, KEVIN R.、SHAWE, THOMAS T.

  DOI：——

  日期：——
• KISSPEPTIDE-PENTASACCHARIDE CONJUGATES
  申请人：Blomenrohr Marion

  公开号：US20140206627A1

  公开（公告）日：2014-07-24

  The invention relates to kisspeptide-pentasaccharide conjugates having the general formula (I) wherein Z 1 is Tyr or D-Tyr; Z 3 is Trp, Hyp, Phe or Lys(R 2 ); Z 5 is Thr, Aib or Ala; Z 7 is Gly or azaGly; Z 8 is Leu; or Z 7 and Z 8 together represent; Z 10 is Phe or Trp; n is 0 or 1; or R 2 , when present, represents a pentasaccharide derivative having the formula (II) wherein R is methyl or SO 3 X; X is a positively charged counterion; with the proviso that when R 2 is present, R 1 is H or (C 1-6 ) alkylcarbonyl; R 3 is H or (C 1-3 )alkyl; and L represents a pharmacologically inactive linker moiety having 10-50 atoms; or a pharmaceutically acceptable salt thereof; to pharmaceutical compositions comprising the same as well as to the use of said kisspeptide-pentasaccharide conjugates in the treatment of female infertility.