2,6-bis(mercaptomethyl)-4-tert-butylfluorobenzene | 77180-50-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,6-bis(mercaptomethyl)-4-tert-butylfluorobenzene
• 英文别名: (5-tert-Butyl-2-fluoro-1,3-phenylene)dimethanethiol；[5-tert-butyl-2-fluoro-3-(sulfanylmethyl)phenyl]methanethiol
• CAS: 77180-50-8
• 化学式: C₁₂H₁₇FS₂
• 分子量: 244.397
• InChiKey: LTVNSJDMACFFSF-UHFFFAOYSA-N

物化性质

• 沸点：
  127-130 °C(Press: 1 Torr)
• 密度：
  1.105±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,6-bis(mercaptomethyl)-4-tert-butylfluorobenzene 在 氢氧化钾 、 sodium tetrahydroborate 、 N-溴代丁二酰亚胺(NBS) 、 间氯过氧苯甲酸 作用下， 以 四氯化碳 、 乙醇 、 氯仿 、 苯 为溶剂， -5.0~480.0 ℃ 、106.66 Pa 条件下， 反应 14.0h， 生成 1-bromo-2-tert-butyl-6,8-dimethylpyrene
  参考文献：
  名称：

  Yamato, Takehiko; Miyazawa, Akira; Tashiro, Masashi, Journal of the Chemical Society. Perkin transactions I, 1993, # 24, p. 3127 - 3138

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-bis(chloromethyl)-4-tert-butylfluorobenzene 、 硫脲 以82%的产率得到
  参考文献：
  名称：

  TASHIRO MASASHI; YAMATO TAKEHIKO, ORG. PREP. AND PROCED. INT., 1981, 13, NO 1, 1-7

  摘要：

  DOI：

文献信息

• Metacyclophanes and related compounds. 14. Preparation of 8,16-difluoro[2.2]metacyclophane
  作者：Masashi Tashiro、Takehiko Yamato

  DOI：10.1021/jo00216a026

  日期：1985.8
• Metacyclophanes and related compounds. 22. Medium-sized cyclophanes. Preparation and valence tautomerism of 8,16-disubstituted [2.2]metacyclophane-1,9-dienes
  作者：Takehiko Yamato、Akira Miyazawa、Masashi Tashiro

  DOI：10.1021/jo00027a047

  日期：1992.1

  Introduction of functional groups other than hydrogen or alkyl groups into the internal positions of [2.2]metacyclophane-1,9-dienes was attempted. [2.2]Metacyclophane-1,9-dienes 6a-6g, bearing variously halogen, methoxy, and methyl substituents in the 8 and 16 positions, were prepared from the corresponding bis(halomethyl)benzenes 1 and bis(mercaptomethyl)benzenes 2 involving use of Wittig rearrangement of 2,11-dithia-[3.3]metacyclophanes followed by Hofmann elimination. Although 6a-6c, 6f, and 6g were isolated as thermally stable crystals, isolation of 6d failed since this compound was thermally labile and transformed spontaneously into 2,7-di-tert-butyl-1-chloropyrene (7). The photochemical and thermal valence tautomerizations of [2.2]metacyclophanes which were prepared in the present work are described. Attempts to convert 8,16-disubstituted [2.2]metacyclophane-1,9-dienes 6 to 4,5,9,10-tetrabromo-10b,10c-disubstituted 10b,10c-dihydropyrenes by treatment of these compounds with bromine in carbon tetrachloride failed but instead gave addition products 13 and transannular reaction products 14. The reaction pathways of the bromination are also discussed.
• TASHIRO, MASASHI;YAMATO, TAKEHIKO, J. ORG. CHEM., 1985, 50, N 16, 2939-2942
  作者：TASHIRO, MASASHI、YAMATO, TAKEHIKO

  DOI：——

  日期：——
• Ernst, Ludger; Ibrom, Kerstin; Marat, Kirk, Chemische Berichte, 1994, vol. 127, # 6, p. 1119 - 1124
  作者：Ernst, Ludger、Ibrom, Kerstin、Marat, Kirk、Mitchell, Reginald H.、Bodwell, Graham J.、Bushnell, Gordon W.

  DOI：——

  日期：——
• Yamato, Takehiko; Miyazawa, Akira; Tashiro, Masashi, Journal of the Chemical Society. Perkin transactions I, 1993, # 24, p. 3127 - 3138
  作者：Yamato, Takehiko、Miyazawa, Akira、Tashiro, Masashi

  DOI：——

  日期：——