3-chloro-9-anthrone | 4888-00-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 3-chloro-9-anthrone
• 英文别名: 3-chloro-anthrone；3-Chlor-anthron；3-chloroanthrone；3-Chloroanthracen-9(10h)-one；3-chloro-10H-anthracen-9-one
• CAS: 4888-00-0
• 化学式: C₁₄H₉ClO
• 分子量: 228.678
• InChiKey: MVPQIDZRNBWJEX-UHFFFAOYSA-N

物化性质

• 熔点：
  155-156 °C(Solv: ethanol (64-17-5))
• 沸点：
  390.3±41.0 °C(Predicted)
• 密度：
  1.310±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-chloro-9-anthrone 在 potassium dichromate 作用下， 以 溶剂黄146 为溶剂， 反应 1.0h， 生成 2-氯蒽醌
  参考文献：
  名称：

  Application of organolithium and related reagents in synthesis XVI: Synthetic strategies based on aromatic metallation. A concise regiospecific conversion of chlorobenzoic acids into their benzylated derivatives

  摘要：

  The reaction of benzyl bromide with bis-(N- and C-ortho)-lithiated chloroanilides 4, 5, and 6 has been examined. It has been found that in the case where the lithiated compound was derived from meta-methoxyanilides, pre-addition of LiBr or TMEDA was required to achieve C-benzylation. These results were accounted for by the conversion of the usually formed dimer into a mixed dimer with the LiBr or TMEDA complex in which the C-lithium bond appears to be more accessible towards electrophiles. The practical synthesis of o-benzylchlorobenzoic acids 10, 11, and 12 was accomplished via ionic reductive cleavage (Et(3)SiH/TiCl4) of the corresponding phthalides 18, 19, and 20. The acids 10, 11b, and 11c afforded the corresponding anthrones, upon treatment with trifluoroacetic anhydride which were oxidized by chromium trioxide to the new chloroantraquinones 21, 22, and 23.

  DOI：

  10.1007/bf00817261
• 作为产物：
  描述：

  2-氯蒽醌 在 盐酸 、 tin 、 溶剂黄146 作用下， 生成 3-chloro-9-anthrone
  参考文献：
  名称：

  Barnett; Matthews, Journal of the Chemical Society, 1923, vol. 123, p. 2556

  摘要：

  DOI：

文献信息

• 9-anthryloxyaminoalkanes and related compounds as anti-inflammatory and
  申请人：Syntex (U.S.A.) Inc.

  公开号：US04792551A1

  公开（公告）日：1988-12-20

  Compounds useful for treating inflammation, pain and swelling, represented by the formula: ##STR1## and the pharmaceutically acceptable acid addition salts thereof, wherein: Y and Z are each independently halo, alkyl or alkoxy; l and m are each independently integers of 0-4; b is an integer of 2-12; and X is selected from the group consisting of: --NR.sup.1 R.sup.2, --NR.sup.1 (CH.sub.2 CH.sub.2 OH), ##STR2## in which R.sup.1 and R.sup.2 are independently H, alkyl or cycloalkyl; R.sup.3 is H, alkyl or CH.sub.2 CH.sub.2 OH; and n is an integer of 3-7.

  用于治疗炎症、疼痛和肿胀的化合物，其化学式表示为: ##STR1## 及其药学上可接受的酸盐，其中: Y 和 Z 分别独立为卤素、烷基或烷氧基; l 和 m 分别独立为0-4的整数; b 为2-12的整数; X 从以下组合中选择: --NR.sup.1 R.sup.2, --NR.sup.1 (CH.sub.2 CH.sub.2 OH), ##STR2## 其中 R.sup.1 和 R.sup.2 独立为H、烷基或环烷基; R.sup.3 为H、烷基或CH.sub.2 CH.sub.2 OH; n 为3-7的整数。
• Absolute Stereochemisty and Chiroptical Properties of 3,3′-Bis(methoxycarbonyl)-9,9′-bianthryl
  作者：Shinji Toyota、Toshiaki Shimasaki、Takashi Ueda、Naoki Tanifuji、Kan Wakamatsu

  DOI：10.1246/bcsj.77.2065

  日期：2004.11

  The axially chiral title compound was enantiomerically resolved by the diastereomer method via the camphorsultamamide of the corresponding dicarboxylic acid. The absolute stereochemistry of the (+)- and (−)-forms ([α]D +32 and −33) was determined by X-ray analysis of one of the diastereomers of the sultamamide to be P and M, respectively, for the helicity about the C9–C9′ bond. The observed CD and UV spectra were reasonably reproduced by the theoretical calculation based on the time-dependent density functional theory (TDDFT). The CD spectrum of the (M)-(−) form features a split curve around 270 nm assignable to the exciton coupling of the β transition and a broad p band peak around 380 nm.

  通过相应二羧酸的樟脑磺酰胺，采用非对映异构体法对轴向手性标题化合物进行了对映体解析。通过对其中一种非对映异构体的 X 射线分析，确定了 (+)- 和 (-)- 形式（[α]D +32 和 -33）的绝对立体化学性质，即围绕 C9-C9′ 键的螺旋度分别为 P 和 M。基于时间相关密度泛函理论（TDDFT）的理论计算合理地再现了观察到的 CD 和 UV 光谱。(M)-(-)形式的 CD 光谱在 270 nm 附近有一条分裂曲线，这可能与 β 转变的激子耦合有关，而在 380 nm 附近则有一个宽 p 带峰值。
• 9-Anthryloxyaminoalkanes and related compounds, processes for their preparation and pharmaceutical compositions containing them
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0132351A2

  公开（公告）日：1985-01-30

  Compounds useful for treating inflammation, pain and swelling, represented by the formula: and the pharmaceutically acceptable acid addition salts thereof, wherein: Y and Z are each independently halo, alkyl or alkoxy; I and m are each independently 0 or an integer of 1-4; b is an integer of 2-12; and X is selected from: in which R1 and R2 are independently H, alcyl or cycloalkyl; R3 is H, alkyl or CH2CH20H; and n is an integer of 3-7.

  用于治疗炎症、疼痛和肿胀的化合物，由式： 及其药学上可接受的酸加成盐，其中 Y 和 Z 各自独立地为卤代、烷基或烷氧基； I 和 m 各自独立地为 0 或 1-4 的整数； b 是 2-12 的整数；以及 X 选自 其中 R1 和 R2 独立地为 H、烷基或环烷基； R3 是 H、烷基或 CH2CH20H；以及 n 是 3-7 的整数。
• Vat dyestuffs and a process of preparing them
  申请人：GEN ANILINE WORKS INC

  公开号：US02128514A1

  公开（公告）日：1938-08-30
• DE618045
  申请人：——

  公开号：——

  公开（公告）日：——